1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

C18H29N5 — CID 75373813

IUPAC1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(C2C=CCCC2)C1
InChIInChI=1S/C18H29N5/c1-21(13-17-19-20-18(22(17)2)14-8-9-14)16-10-11-23(12-16)15-6-4-3-5-7-15/h4,6,14-16H,3,5,7-13H2,1-2H3
InChIKeyLAMFNZNSHKFGTI-UHFFFAOYSA-N
MW315.47 g/mol
LogP2.31
Rot. Bonds5

About 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 75373813) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID75373813
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(C2C=CCCC2)C1
InChIInChI=1S/C18H29N5/c1-21(13-17-19-20-18(22(17)2)14-8-9-14)16-10-11-23(12-16)15-6-4-3-5-7-15/h4,6,14-16H,3,5,7-13H2,1-2H3
InChIKeyLAMFNZNSHKFGTI-UHFFFAOYSA-N
XLogP2.31
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-5-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-methylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazole
CID 156101122
1-cyclopropyl-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 173866336
4-[(2Z,4E,6Z)-cyclodeca-2,4,6-trien-1-yl]-3-[(Z)-4-[(1S)-2-methylcyclopropyl]but-3-enyl]-5-[(3Z,5Z)-octa-3,5-dienyl]-1,2,4-triazole
CID 174066094
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-en-1-yl)piperidine
CID 72855572
4-(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211217
(2R,6R)-4-[[(1R)-cyclohex-3-en-1-yl]methyl]-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565922
(2R,6R)-4-[[(1S)-cyclohex-3-en-1-yl]methyl]-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 92565923
(2R,6R)-4-(cyclohex-3-en-1-ylmethyl)-12-methyl-1,4,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 110226525
(1R,5S)-8-((4-methyl-4H-1,2,4-triazol-3-yl)methyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 121183512
(1R,5S)-8-((4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 121183513
3-((1R,5S)-8-azabicyclo[3.2.1]oct-2-en-8-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 121183514
7-cyclohex-2-en-1-yl-3-cyclopentyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 128395268

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (CID 75373813) is 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is CN(Cc1nnc(C2CC2)n1C)C1CCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is LAMFNZNSHKFGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-21(13-17-19-20-18(22(17)2)14-8-9-14)16-10-11-23(12-16)15-6-4-3-5-7-15/h4,6,14-16H,3,5,7-13H2,1-2H3.
What are the key properties of 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 315.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 75373813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).