ethane;3-methylhexane;N-methylprop-1-en-2-amine

C15H37N — CID 143357594

IUPACethane;3-methylhexane;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CC.CC.CCCC(C)CC
InChIInChI=1S/C7H16.C4H9N.2C2H6/c1-4-6-7(3)5-2;1-4(2)5-3;2*1-2/h7H,4-6H2,1-3H3;5H,1H2,2-3H3;2*1-2H3
InChIKeyFQFVBPWJRROBGQ-UHFFFAOYSA-N
MW231.47 g/mol
LogP5.62
Rot. Bonds4

About ethane;3-methylhexane;N-methylprop-1-en-2-amine

ethane;3-methylhexane;N-methylprop-1-en-2-amine (PubChem CID 143357594) has the molecular formula C15H37N and a molecular weight of 231.47 g/mol. Its IUPAC name is ethane;3-methylhexane;N-methylprop-1-en-2-amine.

Molecular Properties

Compound Nameethane;3-methylhexane;N-methylprop-1-en-2-amine
PubChem CID143357594
Molecular FormulaC15H37N
Molecular Weight231.47 g/mol
Exact Mass231.29
IUPAC Nameethane;3-methylhexane;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CC.CC.CCCC(C)CC
InChIInChI=1S/C7H16.C4H9N.2C2H6/c1-4-6-7(3)5-2;1-4(2)5-3;2*1-2/h7H,4-6H2,1-3H3;5H,1H2,2-3H3;2*1-2H3
InChIKeyFQFVBPWJRROBGQ-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylhexane;2-methylprop-1-ene
CID 165405684
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
(3R,6R)-3,6-dimethylnonane
CID 170848352
(3E)-N,3,6-trimethylnona-1,3-dien-2-amine
CID 139564567
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
2-methylhexane;3-methylhexane
CID 123646192
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298
ethane;2-methylbutane;3-methylhexane;3,4,5-trimethylhexa-1,2-diene
CID 164916151
3-methylhexane;3-methylpentane;pentane
CID 158601477
ethane;3-methylheptane;propan-2-imine
CID 142132474
N,3-dimethylpentan-1-amine;ethane
CID 142089517
2,7-dimethylnon-1-ene
CID 123682074

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylhexane;N-methylprop-1-en-2-amine?
The IUPAC name of ethane;3-methylhexane;N-methylprop-1-en-2-amine (CID 143357594) is ethane;3-methylhexane;N-methylprop-1-en-2-amine.
What is the SMILES notation for ethane;3-methylhexane;N-methylprop-1-en-2-amine?
The canonical SMILES for ethane;3-methylhexane;N-methylprop-1-en-2-amine is C=C(C)NC.CC.CC.CCCC(C)CC.
What is the InChIKey of ethane;3-methylhexane;N-methylprop-1-en-2-amine?
The InChIKey is FQFVBPWJRROBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C4H9N.2C2H6/c1-4-6-7(3)5-2;1-4(2)5-3;2*1-2/h7H,4-6H2,1-3H3;5H,1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;3-methylhexane;N-methylprop-1-en-2-amine?
ethane;3-methylhexane;N-methylprop-1-en-2-amine has a molecular weight of 231.47 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylhexane;N-methylprop-1-en-2-amine is sourced from PubChem (CID 143357594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).