1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine

C12H26N2O — CID 65045108

IUPAC1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine
SMILESCOCCCN(C)C1(CN)CCCC1C
InChIInChI=1S/C12H26N2O/c1-11-6-4-7-12(11,10-13)14(2)8-5-9-15-3/h11H,4-10,13H2,1-3H3
InChIKeyIWTSNXMGODYPCY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine

1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine (PubChem CID 65045108) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine
PubChem CID65045108
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine
SMILESCOCCCN(C)C1(CN)CCCC1C
InChIInChI=1S/C12H26N2O/c1-11-6-4-7-12(11,10-13)14(2)8-5-9-15-3/h11H,4-10,13H2,1-3H3
InChIKeyIWTSNXMGODYPCY-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
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-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64762965
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylcyclopentan-1-amine
CID 81059701
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561
N'-[1-(aminomethyl)-2-methylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65045165
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 65044888
1-(aminomethyl)-N,2-dimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 65045881
1-(aminomethyl)-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 65044747
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylcyclopentan-1-amine
CID 65044842
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylcyclohexan-1-amine
CID 61453024
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
CID 64762174

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine (CID 65045108) is 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine is COCCCN(C)C1(CN)CCCC1C.
What is the InChIKey of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine?
The InChIKey is IWTSNXMGODYPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11-6-4-7-12(11,10-13)14(2)8-5-9-15-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine?
1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methoxypropyl)-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 65045108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).