2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine

C18H30N2 — CID 114334223

IUPAC2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine
SMILESCCN(CCCCc1ccccc1)C1CCCC1CN
InChIInChI=1S/C18H30N2/c1-2-20(18-13-8-12-17(18)15-19)14-7-6-11-16-9-4-3-5-10-16/h3-5,9-10,17-18H,2,6-8,11-15,19H2,1H3
InChIKeyRBNQWHZTNHQNTE-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds8

About 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine

2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine (PubChem CID 114334223) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine
PubChem CID114334223
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine
SMILESCCN(CCCCc1ccccc1)C1CCCC1CN
InChIInChI=1S/C18H30N2/c1-2-20(18-13-8-12-17(18)15-19)14-7-6-11-16-9-4-3-5-10-16/h3-5,9-10,17-18H,2,6-8,11-15,19H2,1H3
InChIKeyRBNQWHZTNHQNTE-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
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

2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768
2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 79982572
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
2-bromo-N-methyl-N-(4-phenylbutyl)cyclohexan-1-amine
CID 102637342
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
2-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethylcyclohexan-1-amine
CID 66418374
2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842
methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
CID 63382692
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine (CID 114334223) is 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine is CCN(CCCCc1ccccc1)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine?
The InChIKey is RBNQWHZTNHQNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-20(18-13-8-12-17(18)15-19)14-7-6-11-16-9-4-3-5-10-16/h3-5,9-10,17-18H,2,6-8,11-15,19H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine?
2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 114334223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).