1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine

C12H23N3 — CID 95760513

IUPAC1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
SMILESC/N=C(\NCC1CCCCC1)NC1CC1
InChIInChI=1S/C12H23N3/c1-13-12(15-11-7-8-11)14-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H2,13,14,15)
InChIKeyPIMFEDVMUNDPTB-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.89
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine

1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine (PubChem CID 95760513) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
PubChem CID95760513
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
SMILESC/N=C(\NCC1CCCCC1)NC1CC1
InChIInChI=1S/C12H23N3/c1-13-12(15-11-7-8-11)14-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H2,13,14,15)
InChIKeyPIMFEDVMUNDPTB-UHFFFAOYSA-N
XLogP1.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.89
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-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
1-cyclohexyl-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111758792
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-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(cyclooctylmethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437753
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-cyclopentyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110991728
1-cyclopentyl-2-methyl-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111826603
1-cyclohexyl-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 110958106
N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 110958342

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine?
The IUPAC name of 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine (CID 95760513) is 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine is C/N=C(\NCC1CCCCC1)NC1CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine?
The InChIKey is PIMFEDVMUNDPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-12(15-11-7-8-11)14-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine?
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine has a molecular weight of 209.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine is sourced from PubChem (CID 95760513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).