3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine

C12H24N4 — CID 104884329

IUPAC3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
SMILESCN(CC1CC1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H24N4/c1-16(9-10-7-8-10)12(15-13)14-11-5-3-2-4-6-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyZJMCXUIXDBOZSQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.48
Rot. Bonds3

About 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine

3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine (PubChem CID 104884329) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
PubChem CID104884329
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
SMILESCN(CC1CC1)/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H24N4/c1-16(9-10-7-8-10)12(15-13)14-11-5-3-2-4-6-11/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyZJMCXUIXDBOZSQ-UHFFFAOYSA-N
XLogP1.48
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
CID 104886264
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 104885486
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 116513032

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine (CID 104884329) is 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine is CN(CC1CC1)/C(=N/C1CCCCC1)NN.
What is the InChIKey of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine?
The InChIKey is ZJMCXUIXDBOZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-16(9-10-7-8-10)12(15-13)14-11-5-3-2-4-6-11/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine?
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine has a molecular weight of 224.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine is sourced from PubChem (CID 104884329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).