2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine

C19H39N — CID 87658734

IUPAC2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine
SMILESC=CCN(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C19H39N/c1-6-11-13-18(9-4)16-20(15-8-3)17-19(10-5)14-12-7-2/h8,18-19H,3,6-7,9-17H2,1-2,4-5H3
InChIKeyFIOXFFAZYZMNBA-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.91
Rot. Bonds14

About 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine

2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine (PubChem CID 87658734) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine
PubChem CID87658734
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine
SMILESC=CCN(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C19H39N/c1-6-11-13-18(9-4)16-20(15-8-3)17-19(10-5)14-12-7-2/h8,18-19H,3,6-7,9-17H2,1-2,4-5H3
InChIKeyFIOXFFAZYZMNBA-UHFFFAOYSA-N
XLogP5.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Hexadecylamine, N,N-di(allyl)-
CID 10448774
Piproctanyl bromide
CID 3034411
Diallyldodecylamine
CID 3804938
Undecylamine, N,N-di(allyl)-
CID 10156078
Octadecylamine, N,N-di(allyl)-
CID 18541471
Dodecyl-dimethyl-prop-2-enylazanium
CID 169387
Tetradecylamine, N,N-di(allyl)-
CID 10424485
2-Ethylhexylamine, N,N-di(allyl)-
CID 19751114
N-Allyl-N,N-di-n-octylamine
CID 4562804
Piproctanyl
CID 92514
Dodecyl-methyl-bis(prop-2-enyl)azanium
CID 10642265
N-Methyl-N-(prop-2-en-1-yl)dodecan-1-amine
CID 14198342

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine (CID 87658734) is 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine is C=CCN(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine?
The InChIKey is FIOXFFAZYZMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-6-11-13-18(9-4)16-20(15-8-3)17-19(10-5)14-12-7-2/h8,18-19H,3,6-7,9-17H2,1-2,4-5H3.
What are the key properties of 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine?
2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.91, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine is sourced from PubChem (CID 87658734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).