1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine

C15H29N3 — CID 109482315

IUPAC1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
SMILESC/N=C(/NC(C)CCC1CCCCC1)NC1CC1
InChIInChI=1S/C15H29N3/c1-12(8-9-13-6-4-3-5-7-13)17-15(16-2)18-14-10-11-14/h12-14H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyYPGRVLSZAFTCHD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine

1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine (PubChem CID 109482315) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine.

Molecular Properties

Compound Name1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
PubChem CID109482315
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine
SMILESC/N=C(/NC(C)CCC1CCCCC1)NC1CC1
InChIInChI=1S/C15H29N3/c1-12(8-9-13-6-4-3-5-7-13)17-15(16-2)18-14-10-11-14/h12-14H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyYPGRVLSZAFTCHD-UHFFFAOYSA-N
XLogP3.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.06
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-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 109482722
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109482868
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513
1-(4-cyclohexylbutan-2-yl)-3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylguanidine
CID 109482812
1-(4-cyclohexylbutan-2-yl)-3-[3-(methanesulfonamido)propyl]-2-methylguanidine
CID 109482667
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109482393
N-[(2R)-4-cyclohexylbutan-2-yl]thiohydroxylamine;ethane
CID 145163045
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109482483
2-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109482452
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 109482285
1-(4-cyclohexylbutan-2-yl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine;hydroiodide
CID 109482604

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine?
The IUPAC name of 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine (CID 109482315) is 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine.
What is the SMILES notation for 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine?
The canonical SMILES for 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine is C/N=C(/NC(C)CCC1CCCCC1)NC1CC1.
What is the InChIKey of 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine?
The InChIKey is YPGRVLSZAFTCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(8-9-13-6-4-3-5-7-13)17-15(16-2)18-14-10-11-14/h12-14H,3-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine?
1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine has a molecular weight of 251.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutan-2-yl)-3-cyclopropyl-2-methylguanidine is sourced from PubChem (CID 109482315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).