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

C9H16ClN — CID 104578003

IUPACN-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NC/C=C/Cl)C1CC1
InChIInChI=1S/C9H16ClN/c1-9(2,8-4-5-8)11-7-3-6-10/h3,6,8,11H,4-5,7H2,1-2H3/b6-3+
InChIKeySMWFHPGBYIMREV-ZZXKWVIFSA-N
MW173.69 g/mol
LogP2.52
Rot. Bonds4

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

N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine (PubChem CID 104578003) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine
PubChem CID104578003
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine
SMILESCC(C)(NC/C=C/Cl)C1CC1
InChIInChI=1S/C9H16ClN/c1-9(2,8-4-5-8)11-7-3-6-10/h3,6,8,11H,4-5,7H2,1-2H3/b6-3+
InChIKeySMWFHPGBYIMREV-ZZXKWVIFSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-chloro-N-(2-cyclopropylethyl)but-2-en-1-amine
CID 81429012
(E)-4-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]but-2-en-1-amine
CID 81429015
(E)-4-chloro-N-(1-cyclopropylethyl)but-2-en-1-amine
CID 81429114
N-[(E)-4-chlorobut-2-enyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 81429140
N-[(E)-4-chlorobut-2-enyl]-4-methylpentan-1-amine
CID 81429798
N-[(E)-4-chlorobut-2-enyl]-2,4,4-trimethylpentan-2-amine
CID 81429804
N-[(E)-4-chlorobut-2-enyl]-4-methylpentan-2-amine
CID 81430243
N-[(E)-4-chlorobut-2-enyl]-2,3-dimethylbutan-1-amine
CID 81430266
N-[(E)-4-chlorobut-2-enyl]-2-methylpentan-3-amine
CID 81430686
(E)-4-chloro-N-(1-cyclopropylpropan-2-yl)but-2-en-1-amine
CID 81430848
N-[(E)-4-chlorobut-2-enyl]-1-cyclopropylbutan-2-amine
CID 81431000
N-[(E)-4-chlorobut-2-enyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905419

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine (CID 104578003) is N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine is CC(C)(NC/C=C/Cl)C1CC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine?
The InChIKey is SMWFHPGBYIMREV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H16ClN/c1-9(2,8-4-5-8)11-7-3-6-10/h3,6,8,11H,4-5,7H2,1-2H3/b6-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine?
N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine has a molecular weight of 173.69 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 104578003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).