trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine

C10H21NO — CID 95377511

IUPACtrans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
SMILESCOCCCN[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H21NO/c1-9-5-3-6-10(9)11-7-4-8-12-2/h9-11H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyYBBFARUHKVMGCY-NXEZZACHSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

About trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine

trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine (PubChem CID 95377511) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
PubChem CID95377511
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
SMILESCOCCCN[C@@H]1CCC[C@H]1C
InChIInChI=1S/C10H21NO/c1-9-5-3-6-10(9)11-7-4-8-12-2/h9-11H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyYBBFARUHKVMGCY-NXEZZACHSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 64501211
N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 63278202
N-(3-methoxypropyl)-3-methylcyclopentan-1-amine
CID 2849462
2-[[(1R,2R)-2-methylcyclopentyl]amino]ethanol
CID 95377443
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 63278010
N-(1-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64112480
N-[(1R)-1-cyclopentylethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81393766
N-[(1S)-1-cyclopentylethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81394127
3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 115652075
[(1-Fluorocyclopentyl)methyl](3-methoxypropyl)amine
CID 126847977
(3-Ethoxypropyl)[(1-fluorocyclopentyl)methyl]amine
CID 126847982
trans-(1S,3S)-N-(3-methoxypropyl)-3-methylcyclohexan-1-amine
CID 2247126

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine (CID 95377511) is trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine is COCCCN[C@@H]1CCC[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine?
The InChIKey is YBBFARUHKVMGCY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-9-5-3-6-10(9)11-7-4-8-12-2/h9-11H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine?
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 95377511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).