4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine

C15H30N2 — CID 28657772

IUPAC4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCCCN2CCCC2)CC1
InChIInChI=1S/C15H30N2/c1-2-14-6-8-15(9-7-14)16-10-5-13-17-11-3-4-12-17/h14-16H,2-13H2,1H3
InChIKeyPQQQLIPSMXQNMU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds6

About 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine

4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine (PubChem CID 28657772) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
PubChem CID28657772
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
SMILESCCC1CCC(NCCCN2CCCC2)CC1
InChIInChI=1S/C15H30N2/c1-2-14-6-8-15(9-7-14)16-10-5-13-17-11-3-4-12-17/h14-16H,2-13H2,1H3
InChIKeyPQQQLIPSMXQNMU-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
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-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N-[3-(3-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60867302
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554
3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
CID 64502067
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
3-ethyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 64500277
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
1-[3-[(4-ethylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 75413110
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine (CID 28657772) is 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine is CCC1CCC(NCCCN2CCCC2)CC1.
What is the InChIKey of 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The InChIKey is PQQQLIPSMXQNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-14-6-8-15(9-7-14)16-10-5-13-17-11-3-4-12-17/h14-16H,2-13H2,1H3.
What are the key properties of 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 28657772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).