2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide

C17H27N3 — CID 107110122

IUPAC2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)C1CCC(CC)CC1
InChIInChI=1S/C17H27N3/c1-4-13-8-10-14(11-9-13)20(3)16-12(2)6-5-7-15(16)17(18)19/h5-7,13-14H,4,8-11H2,1-3H3,(H3,18,19)
InChIKeyNWPZWTQUGUSJIT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.68
Rot. Bonds4

About 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide

2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide (PubChem CID 107110122) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
PubChem CID107110122
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1N(C)C1CCC(CC)CC1
InChIInChI=1S/C17H27N3/c1-4-13-8-10-14(11-9-13)20(3)16-12(2)6-5-7-15(16)17(18)19/h5-7,13-14H,4,8-11H2,1-3H3,(H3,18,19)
InChIKeyNWPZWTQUGUSJIT-UHFFFAOYSA-N
XLogP3.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.68
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(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124
3-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107110265
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
3-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzenecarboximidamide
CID 107110036
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-[cyclobutyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107108606
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
CID 61448650
2-[cyclopentyl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107107840

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide (CID 107110122) is 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1N(C)C1CCC(CC)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide?
The InChIKey is NWPZWTQUGUSJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-13-8-10-14(11-9-13)20(3)16-12(2)6-5-7-15(16)17(18)19/h5-7,13-14H,4,8-11H2,1-3H3,(H3,18,19).
What are the key properties of 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide?
2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide has a molecular weight of 273.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)-methylamino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).