1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine

C10H22N4 — CID 104881941

IUPAC1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCC(C)C1C
InChIInChI=1S/C10H22N4/c1-7-5-4-6-9(8(7)2)13-10(12-3)14-11/h7-9H,4-6,11H2,1-3H3,(H2,12,13,14)
InChIKeyKHDFDFZBIUOBTG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds1

About 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine

1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine (PubChem CID 104881941) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine
PubChem CID104881941
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCCC(C)C1C
InChIInChI=1S/C10H22N4/c1-7-5-4-6-9(8(7)2)13-10(12-3)14-11/h7-9H,4-6,11H2,1-3H3,(H2,12,13,14)
InChIKeyKHDFDFZBIUOBTG-UHFFFAOYSA-N
XLogP0.85
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
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

1-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine
CID 104883054
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-methylthiourea
CID 7941565
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine
CID 104882398
(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
CID 28584708
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
N-(2,3-dimethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429431
2-methyl-1-(2-methylcyclohexyl)guanidine
CID 62359337
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
2-amino-2-cyclopropyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 54924834
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine (CID 104881941) is 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine is C/N=C(\NN)NC1CCCC(C)C1C.
What is the InChIKey of 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine?
The InChIKey is KHDFDFZBIUOBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-7-5-4-6-9(8(7)2)13-10(12-3)14-11/h7-9H,4-6,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine?
1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine is sourced from PubChem (CID 104881941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).