N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine

C18H27N3 — CID 119036320

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCC1=CC(C)CC(CNC2CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H27N3/c1-14-9-15(2)11-16(10-14)12-20-17-6-8-21(13-17)18-5-3-4-7-19-18/h3-5,7,9,14,16-17,20H,6,8,10-13H2,1-2H3
InChIKeyYBAIOEPLEZOJGE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.24
Rot. Bonds4

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine (PubChem CID 119036320) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
PubChem CID119036320
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
SMILESCC1=CC(C)CC(CNC2CCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H27N3/c1-14-9-15(2)11-16(10-14)12-20-17-6-8-21(13-17)18-5-3-4-7-19-18/h3-5,7,9,14,16-17,20H,6,8,10-13H2,1-2H3
InChIKeyYBAIOEPLEZOJGE-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675354
N-[(2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75446101
(3S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 124623272
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103276855
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
N-[(1-methylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103778968
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122679
N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine (CID 119036320) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine is CC1=CC(C)CC(CNC2CCN(c3ccccn3)C2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine?
The InChIKey is YBAIOEPLEZOJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-9-15(2)11-16(10-14)12-20-17-6-8-21(13-17)18-5-3-4-7-19-18/h3-5,7,9,14,16-17,20H,6,8,10-13H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine has a molecular weight of 285.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 119036320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).