N-(2-ethylhexyl)dodecan-1-amine

C20H43N — CID 19901278

IUPACN-(2-ethylhexyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCC(CC)CCCC
InChIInChI=1S/C20H43N/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h20-21H,4-19H2,1-3H3
InChIKeyFPBYQFNRQDNNJL-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.71
Rot. Bonds17

About N-(2-ethylhexyl)dodecan-1-amine

N-(2-ethylhexyl)dodecan-1-amine (PubChem CID 19901278) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-(2-ethylhexyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)dodecan-1-amine
PubChem CID19901278
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-(2-ethylhexyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCC(CC)CCCC
InChIInChI=1S/C20H43N/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h20-21H,4-19H2,1-3H3
InChIKeyFPBYQFNRQDNNJL-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.71
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)dodecan-1-amine?
The IUPAC name of N-(2-ethylhexyl)dodecan-1-amine (CID 19901278) is N-(2-ethylhexyl)dodecan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)dodecan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)dodecan-1-amine is CCCCCCCCCCCCNCC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)dodecan-1-amine?
The InChIKey is FPBYQFNRQDNNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h20-21H,4-19H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)dodecan-1-amine?
N-(2-ethylhexyl)dodecan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.71, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)dodecan-1-amine is sourced from PubChem (CID 19901278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).