N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine

C18H28N2 — CID 79617835

IUPACN-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C18H28N2/c1-2-19-17-9-6-10-18(13-17)20-12-11-16(14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyNTLJOYYUPQMXFV-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.40
Rot. Bonds4

About N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine

N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 79617835) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID79617835
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C18H28N2/c1-2-19-17-9-6-10-18(13-17)20-12-11-16(14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyNTLJOYYUPQMXFV-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine (CID 79617835) is N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine is CCNC1CCCC(N2CCC(c3ccccc3)C2)C1.
What is the InChIKey of N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is NTLJOYYUPQMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-19-17-9-6-10-18(13-17)20-12-11-16(14-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3.
What are the key properties of N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine?
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79617835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).