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

C9H18ClN — CID 131248157

IUPACN-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)C/C=C/Cl
InChIInChI=1S/C9H18ClN/c1-8(2)9(3)11(4)7-5-6-10/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyXDGDWZKWSRQTID-AATRIKPKSA-N
MW175.70 g/mol
LogP2.72
Rot. Bonds4

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

N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine (PubChem CID 131248157) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine
PubChem CID131248157
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)C/C=C/Cl
InChIInChI=1S/C9H18ClN/c1-8(2)9(3)11(4)7-5-6-10/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyXDGDWZKWSRQTID-AATRIKPKSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-3-chloroprop-2-enyl]-N-methylbutan-2-amine
CID 131246188
2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
CID 62637426
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
(E)-3-chloro-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 131234785
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
CID 170065203
3-chloro-N-[(E)-3-chloroprop-2-enyl]-N-propan-2-ylpropan-1-amine
CID 107900968
N-butan-2-yl-4-chloro-N-methylbut-2-en-1-amine
CID 77051683
1-chloro-N-[(E)-3-chloroprop-2-enyl]-N,2-dimethylpropan-2-amine
CID 107901200
(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide
CID 57377208
N,3-dichloro-N-prop-2-enylprop-2-en-1-amine;silane
CID 173211748
1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
CID 138662279

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine (CID 131248157) is N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)C/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine?
The InChIKey is XDGDWZKWSRQTID-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18ClN/c1-8(2)9(3)11(4)7-5-6-10/h5-6,8-9H,7H2,1-4H3/b6-5+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine?
N-[(E)-3-chloroprop-2-enyl]-N,3-dimethylbutan-2-amine has a molecular weight of 175.70 g/mol, XLogP of 2.72, 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,3-dimethylbutan-2-amine is sourced from PubChem (CID 131248157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).