8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine

C28H59N — CID 139723771

IUPAC8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine
SMILESCCCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C
InChIInChI=1S/C28H59N/c1-6-7-8-9-14-19-24-29(25-20-15-10-12-17-22-27(2)3)26-21-16-11-13-18-23-28(4)5/h27-28H,6-26H2,1-5H3
InChIKeyZEXZFFWAMMVCAO-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.64
Rot. Bonds23

About 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine

8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine (PubChem CID 139723771) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine.

Molecular Properties

Compound Name8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine
PubChem CID139723771
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC Name8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine
SMILESCCCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C
InChIInChI=1S/C28H59N/c1-6-7-8-9-14-19-24-29(25-20-15-10-12-17-22-27(2)3)26-21-16-11-13-18-23-28(4)5/h27-28H,6-26H2,1-5H3
InChIKeyZEXZFFWAMMVCAO-UHFFFAOYSA-N
XLogP9.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246
N,N-diheptyl-16-methylheptadecan-1-amine
CID 139723972

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine?
The IUPAC name of 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine (CID 139723771) is 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine.
What is the SMILES notation for 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine?
The canonical SMILES for 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine is CCCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C.
What is the InChIKey of 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine?
The InChIKey is ZEXZFFWAMMVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-6-7-8-9-14-19-24-29(25-20-15-10-12-17-22-27(2)3)26-21-16-11-13-18-23-28(4)5/h27-28H,6-26H2,1-5H3.
What are the key properties of 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine?
8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine has a molecular weight of 409.79 g/mol, XLogP of 9.64, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine is sourced from PubChem (CID 139723771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).