2-methyloctadecan-1-amine

C19H41N — CID 56980469

IUPAC2-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC(C)CN
InChIInChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h19H,3-18,20H2,1-2H3
InChIKeyNOPFHKORQPLNMR-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.45
Rot. Bonds16

About 2-methyloctadecan-1-amine

2-methyloctadecan-1-amine (PubChem CID 56980469) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is 2-methyloctadecan-1-amine.

Molecular Properties

Compound Name2-methyloctadecan-1-amine
PubChem CID56980469
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Name2-methyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC(C)CN
InChIInChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h19H,3-18,20H2,1-2H3
InChIKeyNOPFHKORQPLNMR-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.45
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

2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2,4-dimethylnonan-1-amine
CID 123882027
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methyloctacosane
CID 22223942
15-methylhexatriacontane
CID 86002594
6-methylheptacosane
CID 22223776
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109

Frequently Asked Questions

What is the IUPAC name of 2-methyloctadecan-1-amine?
The IUPAC name of 2-methyloctadecan-1-amine (CID 56980469) is 2-methyloctadecan-1-amine.
What is the SMILES notation for 2-methyloctadecan-1-amine?
The canonical SMILES for 2-methyloctadecan-1-amine is CCCCCCCCCCCCCCCCC(C)CN.
What is the InChIKey of 2-methyloctadecan-1-amine?
The InChIKey is NOPFHKORQPLNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h19H,3-18,20H2,1-2H3.
What are the key properties of 2-methyloctadecan-1-amine?
2-methyloctadecan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.45, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctadecan-1-amine is sourced from PubChem (CID 56980469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).