2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine

C20H38N4 — CID 134539127

IUPAC2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine
SMILESCC1C(N)CCCC1N=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H38N4/c1-15-18(21)13-8-14-19(15)24-20(22-16-9-4-2-5-10-16)23-17-11-6-3-7-12-17/h15-19H,2-14,21H2,1H3,(H2,22,23,24)
InChIKeyHMXZSWXBQQVDKA-UHFFFAOYSA-N
MW334.55 g/mol
LogP3.70
Rot. Bonds3

About 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine

2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine (PubChem CID 134539127) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine.

Molecular Properties

Compound Name2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine
PubChem CID134539127
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine
SMILESCC1C(N)CCCC1N=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C20H38N4/c1-15-18(21)13-8-14-19(15)24-20(22-16-9-4-2-5-10-16)23-17-11-6-3-7-12-17/h15-19H,2-14,21H2,1H3,(H2,22,23,24)
InChIKeyHMXZSWXBQQVDKA-UHFFFAOYSA-N
XLogP3.70
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 53.70
H-Bond Donors ≤ 53
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-[(1S,2S)-2-aminocyclohexyl]-1-cycloheptyl-3-(3-fluorophenyl)guanidine
CID 134091911
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-cyclobutyl-3-cyclopropyl-2-methylguanidine
CID 130625734
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
1-cyclopentyl-2-(2-methoxycyclopentyl)guanidine
CID 62362535
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
1-(2-aminocyclohexyl)-3-cyclohexylurea
CID 61036875
1-[(1R,2R)-2-aminocyclohexyl]-3-cyclobutylurea
CID 102724961
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163
1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
CID 122691193
2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine?
The IUPAC name of 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine (CID 134539127) is 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine.
What is the SMILES notation for 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine?
The canonical SMILES for 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine is CC1C(N)CCCC1N=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine?
The InChIKey is HMXZSWXBQQVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4/c1-15-18(21)13-8-14-19(15)24-20(22-16-9-4-2-5-10-16)23-17-11-6-3-7-12-17/h15-19H,2-14,21H2,1H3,(H2,22,23,24).
What are the key properties of 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine?
2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine has a molecular weight of 334.55 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylcyclohexyl)-1,3-dicyclohexylguanidine is sourced from PubChem (CID 134539127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).