1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine

C11H22ClNO — CID 104649733

IUPAC1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
SMILESCOCCCCNC1(CCl)CCCC1
InChIInChI=1S/C11H22ClNO/c1-14-9-5-4-8-13-11(10-12)6-2-3-7-11/h13H,2-10H2,1H3
InChIKeyCSZUZYOPXPTLOY-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.55
Rot. Bonds7

About 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine

1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine (PubChem CID 104649733) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
PubChem CID104649733
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
SMILESCOCCCCNC1(CCl)CCCC1
InChIInChI=1S/C11H22ClNO/c1-14-9-5-4-8-13-11(10-12)6-2-3-7-11/h13H,2-10H2,1H3
InChIKeyCSZUZYOPXPTLOY-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.55
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

1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
CID 103413064
1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 65025714
1-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexan-1-amine
CID 103183987
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791
4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106299632
1-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-amine
CID 104567212
1-(chloromethyl)-N-(3-ethoxypropyl)-4-methylcyclohexan-1-amine
CID 65178436
4-(chloromethyl)-N-heptyloxan-4-amine
CID 106299724
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
N-[2-(3-methoxypropoxy)ethyl]-1-methylcyclopentan-1-amine
CID 103178720

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine (CID 104649733) is 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine is COCCCCNC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine?
The InChIKey is CSZUZYOPXPTLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-14-9-5-4-8-13-11(10-12)6-2-3-7-11/h13H,2-10H2,1H3.
What are the key properties of 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine?
1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine has a molecular weight of 219.76 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine is sourced from PubChem (CID 104649733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).