2,5-dimethylheptadec-2-en-1-amine

C19H39N — CID 91321312

IUPAC2,5-dimethylheptadec-2-en-1-amine
SMILESCCCCCCCCCCCCC(C)CC=C(C)CN
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-18(2)15-16-19(3)17-20/h16,18H,4-15,17,20H2,1-3H3
InChIKeyRRANJTBGFIUDLI-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.23
Rot. Bonds14

About 2,5-dimethylheptadec-2-en-1-amine

2,5-dimethylheptadec-2-en-1-amine (PubChem CID 91321312) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2,5-dimethylheptadec-2-en-1-amine.

Molecular Properties

Compound Name2,5-dimethylheptadec-2-en-1-amine
PubChem CID91321312
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2,5-dimethylheptadec-2-en-1-amine
SMILESCCCCCCCCCCCCC(C)CC=C(C)CN
InChIInChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-18(2)15-16-19(3)17-20/h16,18H,4-15,17,20H2,1-3H3
InChIKeyRRANJTBGFIUDLI-UHFFFAOYSA-N
XLogP6.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethylheptadec-2-enoic acid
CID 54050790
2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2-methyloctadecan-1-amine
CID 56980469
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
6-methyloctacosane
CID 22223942
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylheptadec-2-en-1-amine?
The IUPAC name of 2,5-dimethylheptadec-2-en-1-amine (CID 91321312) is 2,5-dimethylheptadec-2-en-1-amine.
What is the SMILES notation for 2,5-dimethylheptadec-2-en-1-amine?
The canonical SMILES for 2,5-dimethylheptadec-2-en-1-amine is CCCCCCCCCCCCC(C)CC=C(C)CN.
What is the InChIKey of 2,5-dimethylheptadec-2-en-1-amine?
The InChIKey is RRANJTBGFIUDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-5-6-7-8-9-10-11-12-13-14-18(2)15-16-19(3)17-20/h16,18H,4-15,17,20H2,1-3H3.
What are the key properties of 2,5-dimethylheptadec-2-en-1-amine?
2,5-dimethylheptadec-2-en-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.23, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylheptadec-2-en-1-amine is sourced from PubChem (CID 91321312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).