3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine

C11H23NO — CID 107417904

IUPAC3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCOCCCNCC1CCCC1C
InChIInChI=1S/C11H23NO/c1-10-5-3-6-11(10)9-12-7-4-8-13-2/h10-12H,3-9H2,1-2H3
InChIKeyAETGXOBMZOAXLV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds6

About 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine

3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107417904) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107417904
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
SMILESCOCCCNCC1CCCC1C
InChIInChI=1S/C11H23NO/c1-10-5-3-6-11(10)9-12-7-4-8-13-2/h10-12H,3-9H2,1-2H3
InChIKeyAETGXOBMZOAXLV-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103413070
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107418219
3-methoxy-N-[(6-methylpiperidin-2-yl)methyl]propan-1-amine
CID 54855722
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N-(3-methoxypropyl)-2-[(2-methylcyclohexyl)methylamino]propanamide
CID 55013493
N-methyl-4-[(2-methylcyclopentyl)methylamino]butanamide
CID 107417872
3-[(2-methylcyclopentyl)methylamino]propanenitrile
CID 107418190
N-[3-(2-methoxyethoxy)propyl]-2,6-dimethylcyclohexan-1-amine
CID 43183035
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
CID 103183994
N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
CID 63454499

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine (CID 107417904) is 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine is COCCCNCC1CCCC1C.
What is the InChIKey of 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is AETGXOBMZOAXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-5-3-6-11(10)9-12-7-4-8-13-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine?
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107417904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).