N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine

C30H66N2 — CID 88608998

IUPACN,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
SMILESCC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C.CCN(CC)CC
InChIInChI=1S/C24H51N.C6H15N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6;1-4-7(5-2)6-3/h22-24H,7-21H2,1-6H3;4-6H2,1-3H3
InChIKeyGKCYHHYKGXJTIB-UHFFFAOYSA-N
MW454.87 g/mol
LogP9.29
Rot. Bonds21

About N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine

N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine (PubChem CID 88608998) has the molecular formula C30H66N2 and a molecular weight of 454.87 g/mol. Its IUPAC name is N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine.

Molecular Properties

Compound NameN,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
PubChem CID88608998
Molecular FormulaC30H66N2
Molecular Weight454.87 g/mol
Exact Mass454.52
IUPAC NameN,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
SMILESCC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C.CCN(CC)CC
InChIInChI=1S/C24H51N.C6H15N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6;1-4-7(5-2)6-3/h22-24H,7-21H2,1-6H3;4-6H2,1-3H3
InChIKeyGKCYHHYKGXJTIB-UHFFFAOYSA-N
XLogP9.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.87
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine?
The IUPAC name of N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine (CID 88608998) is N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine.
What is the SMILES notation for N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine?
The canonical SMILES for N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine is CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C.CCN(CC)CC.
What is the InChIKey of N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine?
The InChIKey is GKCYHHYKGXJTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.C6H15N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6;1-4-7(5-2)6-3/h22-24H,7-21H2,1-6H3;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine?
N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine has a molecular weight of 454.87 g/mol, XLogP of 9.29, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine is sourced from PubChem (CID 88608998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).