2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine

C14H27N — CID 19751114

IUPAC2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
SMILESC=CCN(CC=C)CC(CC)CCCC
InChIInChI=1S/C14H27N/c1-5-9-10-14(8-4)13-15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-13H2,1,4H3
InChIKeyPKRVTDDDDQCHKM-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds10

About 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine

2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine (PubChem CID 19751114) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
PubChem CID19751114
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
SMILESC=CCN(CC=C)CC(CC)CCCC
InChIInChI=1S/C14H27N/c1-5-9-10-14(8-4)13-15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-13H2,1,4H3
InChIKeyPKRVTDDDDQCHKM-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.88
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

2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
CID 88673133
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
(4S)-4-ethyloct-1-ene
CID 129373406
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
N-(2-ethylhexyl)-N-methylprop-2-enamide
CID 150337538
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988
N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride
CID 21421924
2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
3-(prop-2-enoxymethyl)heptane
CID 3530837

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine (CID 19751114) is 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine is C=CCN(CC=C)CC(CC)CCCC.
What is the InChIKey of 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine?
The InChIKey is PKRVTDDDDQCHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-9-10-14(8-4)13-15(11-6-2)12-7-3/h6-7,14H,2-3,5,8-13H2,1,4H3.
What are the key properties of 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine?
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine is sourced from PubChem (CID 19751114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).