N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine

C8H14ClN — CID 107899850

IUPACN-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NC/C=C/Cl
InChIInChI=1S/C8H14ClN/c1-8(2)6-7(8)10-5-3-4-9/h3-4,7,10H,5-6H2,1-2H3/b4-3+
InChIKeyFGKJHUSQELSAMB-ONEGZZNKSA-N
MW159.66 g/mol
LogP2.13
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine

N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 107899850) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID107899850
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1NC/C=C/Cl
InChIInChI=1S/C8H14ClN/c1-8(2)6-7(8)10-5-3-4-9/h3-4,7,10H,5-6H2,1-2H3/b4-3+
InChIKeyFGKJHUSQELSAMB-ONEGZZNKSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine (CID 107899850) is N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1NC/C=C/Cl.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is FGKJHUSQELSAMB-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14ClN/c1-8(2)6-7(8)10-5-3-4-9/h3-4,7,10H,5-6H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine?
N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 159.66 g/mol, XLogP of 2.13, 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]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 107899850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).