2-ethyl-3-nonyldodecan-1-amine

C23H49N — CID 162166670

IUPAC2-ethyl-3-nonyldodecan-1-amine
SMILESCCCCCCCCCC(CCCCCCCCC)C(CC)CN
InChIInChI=1S/C23H49N/c1-4-7-9-11-13-15-17-19-23(22(6-3)21-24)20-18-16-14-12-10-8-5-2/h22-23H,4-21,24H2,1-3H3
InChIKeyRMJVBONJPVXBQR-UHFFFAOYSA-N
MW339.65 g/mol
LogP7.87
Rot. Bonds19

About 2-ethyl-3-nonyldodecan-1-amine

2-ethyl-3-nonyldodecan-1-amine (PubChem CID 162166670) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-ethyl-3-nonyldodecan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-nonyldodecan-1-amine
PubChem CID162166670
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC Name2-ethyl-3-nonyldodecan-1-amine
SMILESCCCCCCCCCC(CCCCCCCCC)C(CC)CN
InChIInChI=1S/C23H49N/c1-4-7-9-11-13-15-17-19-23(22(6-3)21-24)20-18-16-14-12-10-8-5-2/h22-23H,4-21,24H2,1-3H3
InChIKeyRMJVBONJPVXBQR-UHFFFAOYSA-N
XLogP7.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 57.87
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

19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5-butyl-6-ethyldodecane
CID 529932
9,10-diethyloctadecane
CID 530164
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
2-propan-2-yloctan-1-amine
CID 62504332
7-ethyl-6-propyltridecane
CID 530352
9,10-dioctylhenicosan-1-amine
CID 123803716
5,6-diethyldodecane
CID 90761715
8,9-dibutylhexadecane
CID 530025
4,5-dipropyltetradecane
CID 21490606

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-nonyldodecan-1-amine?
The IUPAC name of 2-ethyl-3-nonyldodecan-1-amine (CID 162166670) is 2-ethyl-3-nonyldodecan-1-amine.
What is the SMILES notation for 2-ethyl-3-nonyldodecan-1-amine?
The canonical SMILES for 2-ethyl-3-nonyldodecan-1-amine is CCCCCCCCCC(CCCCCCCCC)C(CC)CN.
What is the InChIKey of 2-ethyl-3-nonyldodecan-1-amine?
The InChIKey is RMJVBONJPVXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-4-7-9-11-13-15-17-19-23(22(6-3)21-24)20-18-16-14-12-10-8-5-2/h22-23H,4-21,24H2,1-3H3.
What are the key properties of 2-ethyl-3-nonyldodecan-1-amine?
2-ethyl-3-nonyldodecan-1-amine has a molecular weight of 339.65 g/mol, XLogP of 7.87, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-nonyldodecan-1-amine is sourced from PubChem (CID 162166670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).