2-[cyclopentyl(methyl)amino]benzenecarboximidamide

C13H19N3 — CID 43267235

IUPAC2-[cyclopentyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)C1CCCC1
InChIInChI=1S/C13H19N3/c1-16(10-6-2-3-7-10)12-9-5-4-8-11(12)13(14)15/h4-5,8-10H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyXXCYYXOFBZZQMJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.35
Rot. Bonds3

About 2-[cyclopentyl(methyl)amino]benzenecarboximidamide

2-[cyclopentyl(methyl)amino]benzenecarboximidamide (PubChem CID 43267235) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]benzenecarboximidamide
PubChem CID43267235
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[cyclopentyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(C)C1CCCC1
InChIInChI=1S/C13H19N3/c1-16(10-6-2-3-7-10)12-9-5-4-8-11(12)13(14)15/h4-5,8-10H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyXXCYYXOFBZZQMJ-UHFFFAOYSA-N
XLogP2.35
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.35
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-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 107279116
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 63669170
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 62306905
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55249247

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]benzenecarboximidamide (CID 43267235) is 2-[cyclopentyl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(C)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]benzenecarboximidamide?
The InChIKey is XXCYYXOFBZZQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-16(10-6-2-3-7-10)12-9-5-4-8-11(12)13(14)15/h4-5,8-10H,2-3,6-7H2,1H3,(H3,14,15).
What are the key properties of 2-[cyclopentyl(methyl)amino]benzenecarboximidamide?
2-[cyclopentyl(methyl)amino]benzenecarboximidamide has a molecular weight of 217.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 43267235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).