N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine

C12H24ClNO — CID 104649791

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCC1(CCl)CCCC1
InChIInChI=1S/C12H24ClNO/c1-15-9-5-4-8-14-11-12(10-13)6-2-3-7-12/h14H,2-11H2,1H3
InChIKeySYWRIBOETCNIDI-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.80
Rot. Bonds8

About N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine (PubChem CID 104649791) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
PubChem CID104649791
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCC1(CCl)CCCC1
InChIInChI=1S/C12H24ClNO/c1-15-9-5-4-8-14-11-12(10-13)6-2-3-7-12/h14H,2-11H2,1H3
InChIKeySYWRIBOETCNIDI-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutan-1-amine
CID 115518503
1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
CID 104649733
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 103969204
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[[1-(chloromethyl)cyclopentyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 115363319
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine (CID 104649791) is N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine is COCCCCNCC1(CCl)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine?
The InChIKey is SYWRIBOETCNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-15-9-5-4-8-14-11-12(10-13)6-2-3-7-12/h14H,2-11H2,1H3.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine is sourced from PubChem (CID 104649791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).