2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine

C12H25N — CID 88673133

IUPAC2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
SMILESC=CCN(C)CC(CC)CCCC
InChIInChI=1S/C12H25N/c1-5-8-9-12(7-3)11-13(4)10-6-2/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyGVGAKOQFBAKBSC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.32
Rot. Bonds8

About 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine

2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine (PubChem CID 88673133) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
PubChem CID88673133
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
SMILESC=CCN(C)CC(CC)CCCC
InChIInChI=1S/C12H25N/c1-5-8-9-12(7-3)11-13(4)10-6-2/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyGVGAKOQFBAKBSC-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.32
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-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
N-(2-chloroethyl)-2-ethyl-N-methylhexan-1-amine
CID 63386815
(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
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
CID 130522843
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride
CID 21421924
methyl 2-[2-ethylhexyl(methyl)amino]acetate
CID 62026323
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine (CID 88673133) is 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine is C=CCN(C)CC(CC)CCCC.
What is the InChIKey of 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine?
The InChIKey is GVGAKOQFBAKBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-9-12(7-3)11-13(4)10-6-2/h6,12H,2,5,7-11H2,1,3-4H3.
What are the key properties of 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine?
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine is sourced from PubChem (CID 88673133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).