N-[(E)-3-chloroprop-2-enyl]cyclobutanamine

C7H12ClN — CID 107899885

IUPACN-[(E)-3-chloroprop-2-enyl]cyclobutanamine
SMILESCl/C=C/CNC1CCC1
InChIInChI=1S/C7H12ClN/c8-5-2-6-9-7-3-1-4-7/h2,5,7,9H,1,3-4,6H2/b5-2+
InChIKeyKMJRGAGNMSSTMM-GORDUTHDSA-N
MW145.63 g/mol
LogP1.88
Rot. Bonds3

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

N-[(E)-3-chloroprop-2-enyl]cyclobutanamine (PubChem CID 107899885) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]cyclobutanamine
PubChem CID107899885
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC NameN-[(E)-3-chloroprop-2-enyl]cyclobutanamine
SMILESCl/C=C/CNC1CCC1
InChIInChI=1S/C7H12ClN/c8-5-2-6-9-7-3-1-4-7/h2,5,7,9H,1,3-4,6H2/b5-2+
InChIKeyKMJRGAGNMSSTMM-GORDUTHDSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(cyclobutylamino)but-2-en-1-ol
CID 115011424
N'-cyclohexylprop-1-ene-1,3-diamine
CID 66721307
N-(chloromethyl)cyclobutanamine
CID 115262784
N-[(E)-3-chloroprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
CID 103830755
2-(cyclopentylamino)acetaldehyde
CID 21195530
(E)-4-(cycloheptylamino)but-2-enoic acid
CID 103237236
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine
CID 107899997
2-(cyclooctylamino)acetaldehyde
CID 54127694
N-[3-(4-chlorophenyl)prop-2-enyl]cyclooctanamine
CID 4725017
azane;N-prop-2-enylcyclohexanamine
CID 22328045
3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol
CID 106132351
tert-butyl N-[(E)-4-(cyclobutylamino)but-2-enyl]carbamate
CID 107253047

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]cyclobutanamine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]cyclobutanamine (CID 107899885) is N-[(E)-3-chloroprop-2-enyl]cyclobutanamine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]cyclobutanamine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]cyclobutanamine is Cl/C=C/CNC1CCC1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]cyclobutanamine?
The InChIKey is KMJRGAGNMSSTMM-GORDUTHDSA-N. The full InChI is InChI=1S/C7H12ClN/c8-5-2-6-9-7-3-1-4-7/h2,5,7,9H,1,3-4,6H2/b5-2+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]cyclobutanamine?
N-[(E)-3-chloroprop-2-enyl]cyclobutanamine has a molecular weight of 145.63 g/mol, XLogP of 1.88, 3 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]cyclobutanamine is sourced from PubChem (CID 107899885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).