1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine

C12H26N2O — CID 104647259

IUPAC1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
SMILESCOCCCCN(C)C1(CN)CCCC1
InChIInChI=1S/C12H26N2O/c1-14(9-5-6-10-15-2)12(11-13)7-3-4-8-12/h3-11,13H2,1-2H3
InChIKeyMNPVFFBQKMRMKC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.62
Rot. Bonds7

About 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine

1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine (PubChem CID 104647259) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
PubChem CID104647259
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
SMILESCOCCCCN(C)C1(CN)CCCC1
InChIInChI=1S/C12H26N2O/c1-14(9-5-6-10-15-2)12(11-13)7-3-4-8-12/h3-11,13H2,1-2H3
InChIKeyMNPVFFBQKMRMKC-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
CID 104647261
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115513364
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 62010539
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthian-3-amine
CID 62872376

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine (CID 104647259) is 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine is COCCCCN(C)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine?
The InChIKey is MNPVFFBQKMRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-14(9-5-6-10-15-2)12(11-13)7-3-4-8-12/h3-11,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine?
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 104647259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).