2-methylheptadecan-2-amine

C18H39N — CID 13182496

IUPAC2-methylheptadecan-2-amine
SMILESCCCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17,19H2,1-3H3
InChIKeyOESQOSXKPZAPLP-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.20
Rot. Bonds14

About 2-methylheptadecan-2-amine

2-methylheptadecan-2-amine (PubChem CID 13182496) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 2-methylheptadecan-2-amine.

Molecular Properties

Compound Name2-methylheptadecan-2-amine
PubChem CID13182496
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name2-methylheptadecan-2-amine
SMILESCCCCCCCCCCCCCCCC(C)(C)N
InChIInChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17,19H2,1-3H3
InChIKeyOESQOSXKPZAPLP-UHFFFAOYSA-N
XLogP6.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.20
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-Undecanamine, 2-methyl-
CID 109196
3-Octanamine, 3,5-dimethyl-, hydrochloride
CID 41712
4-Nonanamine, 4-methyl-, hydrochloride
CID 41714
2-Methylnonan-2-amine--hydrogen chloride (1/1)
CID 41750
Cycloheptanamine, 1-ethyl-
CID 20069827
NoName_3438
CID 518121
Dimethyldodecanamine
CID 10262644
2-Methyl-2-pentadecanamine
CID 14325080
(1,1-Dimethyl-nonyl)-amine
CID 22341686
5-Butylnonan-5-amine
CID 41703
1-Ethyl-1-n-propyl-n-pentylamine
CID 41717
5-Methylnonan-5-amine
CID 12465760

Frequently Asked Questions

What is the IUPAC name of 2-methylheptadecan-2-amine?
The IUPAC name of 2-methylheptadecan-2-amine (CID 13182496) is 2-methylheptadecan-2-amine.
What is the SMILES notation for 2-methylheptadecan-2-amine?
The canonical SMILES for 2-methylheptadecan-2-amine is CCCCCCCCCCCCCCCC(C)(C)N.
What is the InChIKey of 2-methylheptadecan-2-amine?
The InChIKey is OESQOSXKPZAPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17,19H2,1-3H3.
What are the key properties of 2-methylheptadecan-2-amine?
2-methylheptadecan-2-amine has a molecular weight of 269.52 g/mol, XLogP of 6.20, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptadecan-2-amine is sourced from PubChem (CID 13182496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).