N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine

C51H111N9O6 — CID 161259059

IUPACN-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine
SMILESCCCCCC(=O)N(C)C.CCCCCC(=O)NC.CCCCCC(=O)NC.CNC.CNCCCCCCC(=O)N(C)C.CNCCCCCCC(=O)NCCCCCCC(=O)N(C)C
InChIInChI=1S/C17H35N3O2.C10H22N2O.C8H17NO.2C7H15NO.C2H7N/c1-18-14-10-6-4-8-12-16(21)19-15-11-7-5-9-13-17(22)20(2)3;1-11-9-7-5-4-6-8-10(13)12(2)3;1-4-5-6-7-8(10)9(2)3;2*1-3-4-5-6-7(9)8-2;1-3-2/h18H,4-15H2,1-3H3,(H,19,21);11H,4-9H2,1-3H3;4-7H2,1-3H3;2*3-6H2,1-2H3,(H,8,9);3H,1-2H3
InChIKeyVCHULRQURYIIGF-UHFFFAOYSA-N
MW946.51 g/mol
LogP7.67
Rot. Bonds33

About N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine

N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine (PubChem CID 161259059) has the molecular formula C51H111N9O6 and a molecular weight of 946.51 g/mol. Its IUPAC name is N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine.

Molecular Properties

Compound NameN-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine
PubChem CID161259059
Molecular FormulaC51H111N9O6
Molecular Weight946.51 g/mol
Exact Mass945.87
IUPAC NameN-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine
SMILESCCCCCC(=O)N(C)C.CCCCCC(=O)NC.CCCCCC(=O)NC.CNC.CNCCCCCCC(=O)N(C)C.CNCCCCCCC(=O)NCCCCCCC(=O)N(C)C
InChIInChI=1S/C17H35N3O2.C10H22N2O.C8H17NO.2C7H15NO.C2H7N/c1-18-14-10-6-4-8-12-16(21)19-15-11-7-5-9-13-17(22)20(2)3;1-11-9-7-5-4-6-8-10(13)12(2)3;1-4-5-6-7-8(10)9(2)3;2*1-3-4-5-6-7(9)8-2;1-3-2/h18H,4-15H2,1-3H3,(H,19,21);11H,4-9H2,1-3H3;4-7H2,1-3H3;2*3-6H2,1-2H3,(H,8,9);3H,1-2H3
InChIKeyVCHULRQURYIIGF-UHFFFAOYSA-N
XLogP7.67
TPSA184.32 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds33
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.51
LogP ≤ 57.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
N,N-dimethylhexanamide;N-methylhexanamide
CID 90794993
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-nonyltridecanamide
CID 154228217
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine?
The IUPAC name of N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine (CID 161259059) is N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine.
What is the SMILES notation for N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine?
The canonical SMILES for N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine is CCCCCC(=O)N(C)C.CCCCCC(=O)NC.CCCCCC(=O)NC.CNC.CNCCCCCCC(=O)N(C)C.CNCCCCCCC(=O)NCCCCCCC(=O)N(C)C.
What is the InChIKey of N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine?
The InChIKey is VCHULRQURYIIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2.C10H22N2O.C8H17NO.2C7H15NO.C2H7N/c1-18-14-10-6-4-8-12-16(21)19-15-11-7-5-9-13-17(22)20(2)3;1-11-9-7-5-4-6-8-10(13)12(2)3;1-4-5-6-7-8(10)9(2)3;2*1-3-4-5-6-7(9)8-2;1-3-2/h18H,4-15H2,1-3H3,(H,19,21);11H,4-9H2,1-3H3;4-7H2,1-3H3;2*3-6H2,1-2H3,(H,8,9);3H,1-2H3.
What are the key properties of N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine?
N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine has a molecular weight of 946.51 g/mol, XLogP of 7.67, 33 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine is sourced from PubChem (CID 161259059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).