2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine

C14H27N3 — CID 111962409

IUPAC2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCC1CCCC(C)C1)NC1CC1C
InChIInChI=1S/C14H27N3/c1-10-5-4-6-12(7-10)9-16-14(15-3)17-13-8-11(13)2/h10-13H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyTWIKAPFKRDUNIN-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine

2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine (PubChem CID 111962409) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine
PubChem CID111962409
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine
SMILESC/N=C(\NCC1CCCC(C)C1)NC1CC1C
InChIInChI=1S/C14H27N3/c1-10-5-4-6-12(7-10)9-16-14(15-3)17-13-8-11(13)2/h10-13H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyTWIKAPFKRDUNIN-UHFFFAOYSA-N
XLogP2.39
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110934560
1-cyclopentyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110990004
1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111868697
tert-butyl N-[2-[[N'-methyl-N-[(3-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884497
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111081671
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 104882276
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513
1-(3,3-dimethylbutyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111878126
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea
CID 47509083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine (CID 111962409) is 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine is C/N=C(\NCC1CCCC(C)C1)NC1CC1C.
What is the InChIKey of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine?
The InChIKey is TWIKAPFKRDUNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-10-5-4-6-12(7-10)9-16-14(15-3)17-13-8-11(13)2/h10-13H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine?
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine has a molecular weight of 237.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111962409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).