N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine

C8H16ClN — CID 131246188

IUPACN-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)C/C=C/Cl
InChIInChI=1S/C8H16ClN/c1-4-8(2)10(3)7-5-6-9/h5-6,8H,4,7H2,1-3H3/b6-5+
InChIKeyAFPUHNFXCLVPAN-AATRIKPKSA-N
MW161.68 g/mol
LogP2.47
Rot. Bonds4

About N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine

N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine (PubChem CID 131246188) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine
PubChem CID131246188
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)C/C=C/Cl
InChIInChI=1S/C8H16ClN/c1-4-8(2)10(3)7-5-6-9/h5-6,8H,4,7H2,1-3H3/b6-5+
InChIKeyAFPUHNFXCLVPAN-AATRIKPKSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-4-chloro-N-methylbut-2-en-1-amine
CID 77051683
N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine
CID 131248157
(2R)-N-[(E)-3-chloroprop-2-enyl]-N-methyl-1-phenylpropan-2-amine
CID 76961163
2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
CID 62637426
4-[butan-2-yl(methyl)amino]but-2-enoic acid
CID 76941134
1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
CID 76940071
2-bromo-N-[(E)-3-chloroprop-2-enyl]-N-methylpropan-1-amine
CID 107901100
N-(2-chloropropyl)-N-methylbutan-2-amine
CID 79445031
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
[(E)-3-[[(2S)-butan-2-yl]-methylamino]prop-1-enyl]imino-(methylideneamino)methanesulfinic acid
CID 126636729
2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
CID 107901004
4-[butan-2-yl(methyl)amino]-2-ethylbut-2-enoic acid
CID 77100757

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine (CID 131246188) is N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine is CCC(C)N(C)C/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine?
The InChIKey is AFPUHNFXCLVPAN-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16ClN/c1-4-8(2)10(3)7-5-6-9/h5-6,8H,4,7H2,1-3H3/b6-5+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine?
N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine has a molecular weight of 161.68 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine is sourced from PubChem (CID 131246188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).