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

C17H28N2 — CID 62009540

IUPAC1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
SMILESCCN(CCCc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C17H28N2/c1-2-19(17(15-18)12-6-7-13-17)14-8-11-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15,18H2,1H3
InChIKeyRLEGCGGVBVQGRO-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.21
Rot. Bonds7

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

1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine (PubChem CID 62009540) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
PubChem CID62009540
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
SMILESCCN(CCCc1ccccc1)C1(CN)CCCC1
InChIInChI=1S/C17H28N2/c1-2-19(17(15-18)12-6-7-13-17)14-8-11-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15,18H2,1H3
InChIKeyRLEGCGGVBVQGRO-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 62936265
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-ethyl-N-(2-phenoxyethyl)cyclopentan-1-amine
CID 62008932
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
CID 65088362
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
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)cyclobutan-1-amine
CID 79521880
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine (CID 62009540) is 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine is CCN(CCCc1ccccc1)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
The InChIKey is RLEGCGGVBVQGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-19(17(15-18)12-6-7-13-17)14-8-11-16-9-4-3-5-10-16/h3-5,9-10H,2,6-8,11-15,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine?
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 62009540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).