N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide

C13H21N3 — CID 143939515

IUPACN'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide
SMILESC/N=C(/NC1=CC(C)CC=C1)C1CCCN1
InChIInChI=1S/C13H21N3/c1-10-5-3-6-11(9-10)16-13(14-2)12-7-4-8-15-12/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3,(H,14,16)
InChIKeyQKHBEOYHGZGSJY-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.84
Rot. Bonds2

About N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide

N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide (PubChem CID 143939515) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide
PubChem CID143939515
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide
SMILESC/N=C(/NC1=CC(C)CC=C1)C1CCCN1
InChIInChI=1S/C13H21N3/c1-10-5-3-6-11(9-10)16-13(14-2)12-7-4-8-15-12/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3,(H,14,16)
InChIKeyQKHBEOYHGZGSJY-UHFFFAOYSA-N
XLogP1.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-methyl-3a,4-dihydro-1H-benzimidazole
CID 59585993
2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
CID 70988964
3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
CID 70988985
4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
CID 89098003
4-[1-(2-Methylprop-2-enyl)-3a,4,7,7a-tetrahydrobenzimidazol-2-yl]cyclohexa-1,5-dien-1-amine
CID 89973201
(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole
CID 90719485
6-Methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole
CID 90745506
9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine
CID 90969650
4-[1,1-Dimethyl-2-(1-methylpyrrolidin-2-yl)imidazol-1-ium-4-yl]-1,2,3,6-tetrahydropyridine
CID 91197302
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
(2S)-N'-methyl-N-[(3Z)-2-methylhexa-3,5-dien-3-yl]pyrrolidine-2-carboximidamide
CID 129144282
5-Methyl-2-pyrrolidin-2-yl-3,7-dihydrocyclohepta[d]imidazole
CID 144100236

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide (CID 143939515) is N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide is C/N=C(/NC1=CC(C)CC=C1)C1CCCN1.
What is the InChIKey of N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide?
The InChIKey is QKHBEOYHGZGSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-5-3-6-11(9-10)16-13(14-2)12-7-4-8-15-12/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3,(H,14,16).
What are the key properties of N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide?
N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide has a molecular weight of 219.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 143939515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).