(E)-2-chloro-N-propan-2-ylprop-1-en-1-amine

C6H12ClN — CID 156695574

IUPAC(E)-2-chloro-N-propan-2-ylprop-1-en-1-amine
SMILESC/C(Cl)=C\NC(C)C
InChIInChI=1S/C6H12ClN/c1-5(2)8-4-6(3)7/h4-5,8H,1-3H3/b6-4+
InChIKeyVQEWOUXIFBMXEK-GQCTYLIASA-N
MW133.62 g/mol
LogP2.08
Rot. Bonds2

About (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine

(E)-2-chloro-N-propan-2-ylprop-1-en-1-amine (PubChem CID 156695574) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-chloro-N-propan-2-ylprop-1-en-1-amine
PubChem CID156695574
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name(E)-2-chloro-N-propan-2-ylprop-1-en-1-amine
SMILESC/C(Cl)=C\NC(C)C
InChIInChI=1S/C6H12ClN/c1-5(2)8-4-6(3)7/h4-5,8H,1-3H3/b6-4+
InChIKeyVQEWOUXIFBMXEK-GQCTYLIASA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 158263470
CID 158263470
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(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine
CID 55299762
ethyl 2-methyl-3-(propan-2-ylamino)prop-2-enoate
CID 171480672
(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine
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(2E)-2-[(propan-2-ylamino)methylidene]butanal
CID 175120959
N-(2-chloroethenyl)propan-2-amine
CID 150487123
3-[(propan-2-ylamino)methylidene]heptan-4-one
CID 71321611
4-chloro-3-methylpent-2-ene
CID 85440898
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
(E)-2-chloroprop-1-ene-1-thiol
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2-chloroprop-1-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine?
The IUPAC name of (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine (CID 156695574) is (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine?
The canonical SMILES for (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine is C/C(Cl)=C\NC(C)C.
What is the InChIKey of (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine?
The InChIKey is VQEWOUXIFBMXEK-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12ClN/c1-5(2)8-4-6(3)7/h4-5,8H,1-3H3/b6-4+.
What are the key properties of (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine?
(E)-2-chloro-N-propan-2-ylprop-1-en-1-amine has a molecular weight of 133.62 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-N-propan-2-ylprop-1-en-1-amine is sourced from PubChem (CID 156695574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).