2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide

C15H21N3 — CID 107110306

IUPAC2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC1CC1)C1CC1
InChIInChI=1S/C15H21N3/c1-10-3-2-4-13(15(16)17)14(10)18(12-7-8-12)9-11-5-6-11/h2-4,11-12H,5-9H2,1H3,(H3,16,17)
InChIKeySOVWTNMSQMSAET-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.66
Rot. Bonds5

About 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide

2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 107110306) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
PubChem CID107110306
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(CC1CC1)C1CC1
InChIInChI=1S/C15H21N3/c1-10-3-2-4-13(15(16)17)14(10)18(12-7-8-12)9-11-5-6-11/h2-4,11-12H,5-9H2,1H3,(H3,16,17)
InChIKeySOVWTNMSQMSAET-UHFFFAOYSA-N
XLogP2.66
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.66
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-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
CID 107110122
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]benzenecarboximidamide
CID 64521360
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide (CID 107110306) is 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(CC1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is SOVWTNMSQMSAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-3-2-4-13(15(16)17)14(10)18(12-7-8-12)9-11-5-6-11/h2-4,11-12H,5-9H2,1H3,(H3,16,17).
What are the key properties of 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide?
2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 243.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).