N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine

C19H28N2 — CID 142271265

IUPACN-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine
SMILESC=C(NCC1(c2ccccc2)CCCCC1)N1CCCC1
InChIInChI=1S/C19H28N2/c1-17(21-14-8-9-15-21)20-16-19(12-6-3-7-13-19)18-10-4-2-5-11-18/h2,4-5,10-11,20H,1,3,6-9,12-16H2
InChIKeyGNLYVKKWADEZCA-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.05
Rot. Bonds5

About N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine

N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine (PubChem CID 142271265) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine.

Molecular Properties

Compound NameN-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine
PubChem CID142271265
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine
SMILESC=C(NCC1(c2ccccc2)CCCCC1)N1CCCC1
InChIInChI=1S/C19H28N2/c1-17(21-14-8-9-15-21)20-16-19(12-6-3-7-13-19)18-10-4-2-5-11-18/h2,4-5,10-11,20H,1,3,6-9,12-16H2
InChIKeyGNLYVKKWADEZCA-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
(4S)-4-hydroxy-4-(hydroxymethyl)-N-[(1-phenylcyclohexyl)methyl]azepane-1-carboxamide
CID 126446437
N-[(1-phenylcyclopentyl)methyl]-1,4-thiazepane-4-carboxamide
CID 78886565
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
(1S,3R,4R)-3-amino-4-hydroxy-N-[(1-phenylcyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155940030
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine?
The IUPAC name of N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine (CID 142271265) is N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine.
What is the SMILES notation for N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine?
The canonical SMILES for N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine is C=C(NCC1(c2ccccc2)CCCCC1)N1CCCC1.
What is the InChIKey of N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine?
The InChIKey is GNLYVKKWADEZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-17(21-14-8-9-15-21)20-16-19(12-6-3-7-13-19)18-10-4-2-5-11-18/h2,4-5,10-11,20H,1,3,6-9,12-16H2.
What are the key properties of N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine?
N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine has a molecular weight of 284.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclohexyl)methyl]-1-pyrrolidin-1-ylethenamine is sourced from PubChem (CID 142271265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).