11-methyl-N-(6-methylheptyl)dodecan-1-amine

C21H45N — CID 175343740

IUPAC11-methyl-N-(6-methylheptyl)dodecan-1-amine
SMILESCC(C)CCCCCCCCCCNCCCCCC(C)C
InChIInChI=1S/C21H45N/c1-20(2)16-12-9-7-5-6-8-10-14-18-22-19-15-11-13-17-21(3)4/h20-22H,5-19H2,1-4H3
InChIKeyGHJBPUGAZAQGNV-UHFFFAOYSA-N
MW311.60 g/mol
LogP6.96
Rot. Bonds17

About 11-methyl-N-(6-methylheptyl)dodecan-1-amine

11-methyl-N-(6-methylheptyl)dodecan-1-amine (PubChem CID 175343740) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is 11-methyl-N-(6-methylheptyl)dodecan-1-amine.

Molecular Properties

Compound Name11-methyl-N-(6-methylheptyl)dodecan-1-amine
PubChem CID175343740
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC Name11-methyl-N-(6-methylheptyl)dodecan-1-amine
SMILESCC(C)CCCCCCCCCCNCCCCCC(C)C
InChIInChI=1S/C21H45N/c1-20(2)16-12-9-7-5-6-8-10-14-18-22-19-15-11-13-17-21(3)4/h20-22H,5-19H2,1-4H3
InChIKeyGHJBPUGAZAQGNV-UHFFFAOYSA-N
XLogP6.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
2-(6-methylheptylamino)ethanol
CID 23342125
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286

Frequently Asked Questions

What is the IUPAC name of 11-methyl-N-(6-methylheptyl)dodecan-1-amine?
The IUPAC name of 11-methyl-N-(6-methylheptyl)dodecan-1-amine (CID 175343740) is 11-methyl-N-(6-methylheptyl)dodecan-1-amine.
What is the SMILES notation for 11-methyl-N-(6-methylheptyl)dodecan-1-amine?
The canonical SMILES for 11-methyl-N-(6-methylheptyl)dodecan-1-amine is CC(C)CCCCCCCCCCNCCCCCC(C)C.
What is the InChIKey of 11-methyl-N-(6-methylheptyl)dodecan-1-amine?
The InChIKey is GHJBPUGAZAQGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-20(2)16-12-9-7-5-6-8-10-14-18-22-19-15-11-13-17-21(3)4/h20-22H,5-19H2,1-4H3.
What are the key properties of 11-methyl-N-(6-methylheptyl)dodecan-1-amine?
11-methyl-N-(6-methylheptyl)dodecan-1-amine has a molecular weight of 311.60 g/mol, XLogP of 6.96, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-N-(6-methylheptyl)dodecan-1-amine is sourced from PubChem (CID 175343740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).