1-(1-methylcyclohexyl)-2-propan-2-ylguanidine

C11H23N3 — CID 62380383

IUPAC1-(1-methylcyclohexyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)NC1(C)CCCCC1
InChIInChI=1S/C11H23N3/c1-9(2)13-10(12)14-11(3)7-5-4-6-8-11/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyVEWYJZZYLUJVKT-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.02
Rot. Bonds2

About 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine

1-(1-methylcyclohexyl)-2-propan-2-ylguanidine (PubChem CID 62380383) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-2-propan-2-ylguanidine
PubChem CID62380383
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(1-methylcyclohexyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)NC1(C)CCCCC1
InChIInChI=1S/C11H23N3/c1-9(2)13-10(12)14-11(3)7-5-4-6-8-11/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyVEWYJZZYLUJVKT-UHFFFAOYSA-N
XLogP2.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.02
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

2-cyclopentyl-1-(1-methylcyclopentyl)guanidine
CID 62369070
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092184
1-(N'-hydroxycarbamimidoyl)-N-(1-methylcyclohexyl)cyclopropane-1-carboxamide
CID 80597111
3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide
CID 76927375
3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide
CID 77051955
1-piperidin-1-yl-2-propan-2-ylguanidine
CID 83026670
N-(1-methylcyclohexyl)-2-sulfanylpropanamide
CID 107027312
3-amino-3-hydroxyimino-N-(1-methylcyclobutyl)propanamide
CID 104865832
trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130646724
1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
CID 115593471
(1-methylcyclohexyl) carbamate;(1-methylcyclohexyl)carbamic acid
CID 175741897
1-(4-bromophenyl)-3-(1-methylcyclohexyl)thiourea
CID 100765991

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine (CID 62380383) is 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine is CC(C)/N=C(\N)NC1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine?
The InChIKey is VEWYJZZYLUJVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)13-10(12)14-11(3)7-5-4-6-8-11/h9H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine?
1-(1-methylcyclohexyl)-2-propan-2-ylguanidine has a molecular weight of 197.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 62380383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).