1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine

C15H31N3 — CID 102913365

IUPAC1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESCC(C)C(C/N=C(\N)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H31N3/c1-11(2)14(12(3)4)10-17-15(16)18-13-8-6-5-7-9-13/h11-14H,5-10H2,1-4H3,(H3,16,17,18)
InChIKeyLBBUSUAWWPALOJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.15
Rot. Bonds5

About 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine

1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine (PubChem CID 102913365) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
PubChem CID102913365
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESCC(C)C(C/N=C(\N)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H31N3/c1-11(2)14(12(3)4)10-17-15(16)18-13-8-6-5-7-9-13/h11-14H,5-10H2,1-4H3,(H3,16,17,18)
InChIKeyLBBUSUAWWPALOJ-UHFFFAOYSA-N
XLogP3.15
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.15
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-(5-Aminopentyl)-3-(2-cyclohexylethyl)guanidine
CID 44222291
1,2-Dimethyl-3-(1-methylcyclohexyl)guanidine
CID 3042093
1-(4-Cyclohexylbutan-2-yl)-3-(2,2-difluoroethyl)-2-methylguanidine
CID 109482645
1-(4-Cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine
CID 109482822
1-(3-Fluoropropyl)-2-methyl-3-(4-propan-2-ylcyclohexyl)guanidine
CID 109840812
1-Ethyl-2-(3-fluoropropyl)-3-(4-propan-2-ylcyclohexyl)guanidine
CID 109841260
1-Ethyl-3-(4-methylcyclohexyl)-2-(3,3,3-trifluoropropyl)guanidine
CID 111778537
2-Methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778539
1-(2-Ethylbutyl)-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 111991813
1-(2-Ethylbutyl)-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 111991885
2-Methyl-1-(3-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111992603
1-Ethyl-3-(3-methylcyclohexyl)-2-(3,3,3-trifluoropropyl)guanidine
CID 111992607

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine (CID 102913365) is 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine is CC(C)C(C/N=C(\N)NC1CCCCC1)C(C)C.
What is the InChIKey of 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The InChIKey is LBBUSUAWWPALOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-11(2)14(12(3)4)10-17-15(16)18-13-8-6-5-7-9-13/h11-14H,5-10H2,1-4H3,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine has a molecular weight of 253.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine is sourced from PubChem (CID 102913365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).