N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine

C12H22ClN — CID 107901161

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCC1(CCl)CCCC1
InChIInChI=1S/C12H22ClN/c1-11(2)5-8-14-10-12(9-13)6-3-4-7-12/h5,14H,3-4,6-10H2,1-2H3
InChIKeyJOHYZPZVVLGRPH-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.34
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine (PubChem CID 107901161) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine
PubChem CID107901161
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNCC1(CCl)CCCC1
InChIInChI=1S/C12H22ClN/c1-11(2)5-8-14-10-12(9-13)6-3-4-7-12/h5,14H,3-4,6-10H2,1-2H3
InChIKeyJOHYZPZVVLGRPH-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-3-methylbut-2-en-1-amine
CID 106547276
1-[1-(chloromethyl)cyclobutyl]-N-methylmethanamine
CID 130744589
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-difluoroethanamine
CID 115363272
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 115363319
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
CID 103969430
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
CID 115518503
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
CID 115455707

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine (CID 107901161) is N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine is CC(C)=CCNCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine?
The InChIKey is JOHYZPZVVLGRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-11(2)5-8-14-10-12(9-13)6-3-4-7-12/h5,14H,3-4,6-10H2,1-2H3.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 107901161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).