7-amino-N,N-dibutyl-2-methylhept-2-enamide

C16H32N2O — CID 173212565

IUPAC7-amino-N,N-dibutyl-2-methylhept-2-enamide
SMILESCCCCN(CCCC)C(=O)C(C)=CCCCCN
InChIInChI=1S/C16H32N2O/c1-4-6-13-18(14-7-5-2)16(19)15(3)11-9-8-10-12-17/h11H,4-10,12-14,17H2,1-3H3
InChIKeyBLDPWMDEJMTCKZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.49
Rot. Bonds11

About 7-amino-N,N-dibutyl-2-methylhept-2-enamide

7-amino-N,N-dibutyl-2-methylhept-2-enamide (PubChem CID 173212565) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 7-amino-N,N-dibutyl-2-methylhept-2-enamide.

Molecular Properties

Compound Name7-amino-N,N-dibutyl-2-methylhept-2-enamide
PubChem CID173212565
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name7-amino-N,N-dibutyl-2-methylhept-2-enamide
SMILESCCCCN(CCCC)C(=O)C(C)=CCCCCN
InChIInChI=1S/C16H32N2O/c1-4-6-13-18(14-7-5-2)16(19)15(3)11-9-8-10-12-17/h11H,4-10,12-14,17H2,1-3H3
InChIKeyBLDPWMDEJMTCKZ-UHFFFAOYSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-N,N-dibutyl-2-methylhex-2-enamide
CID 172998500
N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
CID 61217313
8-amino-2-methyloct-2-enoic acid
CID 90963841
methyl 7-amino-2-methylhept-2-enoate
CID 86161223
(Z)-3-methylnon-3-en-2-one
CID 98567788
2-methylnonacos-2-enamide
CID 141002865
(E)-2-methylhexadec-2-enamide
CID 87240184
4-amino-N,N-dibutyl-2-methylidenebutanamide
CID 87759392
N,N-bis(ethylamino)-2-methylnon-2-enamide
CID 141225498
6-amino-2-methylhex-2-enamide
CID 54113800
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594

Frequently Asked Questions

What is the IUPAC name of 7-amino-N,N-dibutyl-2-methylhept-2-enamide?
The IUPAC name of 7-amino-N,N-dibutyl-2-methylhept-2-enamide (CID 173212565) is 7-amino-N,N-dibutyl-2-methylhept-2-enamide.
What is the SMILES notation for 7-amino-N,N-dibutyl-2-methylhept-2-enamide?
The canonical SMILES for 7-amino-N,N-dibutyl-2-methylhept-2-enamide is CCCCN(CCCC)C(=O)C(C)=CCCCCN.
What is the InChIKey of 7-amino-N,N-dibutyl-2-methylhept-2-enamide?
The InChIKey is BLDPWMDEJMTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-6-13-18(14-7-5-2)16(19)15(3)11-9-8-10-12-17/h11H,4-10,12-14,17H2,1-3H3.
What are the key properties of 7-amino-N,N-dibutyl-2-methylhept-2-enamide?
7-amino-N,N-dibutyl-2-methylhept-2-enamide has a molecular weight of 268.44 g/mol, XLogP of 3.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N,N-dibutyl-2-methylhept-2-enamide is sourced from PubChem (CID 173212565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).