1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine

C17H28N2O — CID 62936265

IUPAC1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
SMILESCCN(CCCOc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C17H28N2O/c1-2-19(17(15-18)11-6-7-12-17)13-8-14-20-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15,18H2,1H3
InChIKeyGPNKTTLAEVIAQT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds8

About 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine

1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine (PubChem CID 62936265) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
PubChem CID62936265
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
SMILESCCN(CCCOc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C17H28N2O/c1-2-19(17(15-18)11-6-7-12-17)13-8-14-20-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15,18H2,1H3
InChIKeyGPNKTTLAEVIAQT-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
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-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
CID 62008932
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
N'-[1-(aminomethyl)cyclopentyl]-N,N,N'-triethylethane-1,2-diamine
CID 62010550
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine
CID 61448495
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
CID 63264720
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264545

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine (CID 62936265) is 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine is CCN(CCCOc1ccccc1)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
The InChIKey is GPNKTTLAEVIAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-19(17(15-18)11-6-7-12-17)13-8-14-20-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine?
1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine is sourced from PubChem (CID 62936265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).