2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine

C24H47N3 — CID 123256377

IUPAC2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine
SMILESCCCC/N=C(\NC1CCCCC1)NC1CCCC(C(C)C(C)C(C)C)C1
InChIInChI=1S/C24H47N3/c1-6-7-16-25-24(26-22-13-9-8-10-14-22)27-23-15-11-12-21(17-23)20(5)19(4)18(2)3/h18-23H,6-17H2,1-5H3,(H2,25,26,27)
InChIKeyXPIARQQRQXOMDZ-UHFFFAOYSA-N
MW377.66 g/mol
LogP6.14
Rot. Bonds8

About 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine

2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine (PubChem CID 123256377) has the molecular formula C24H47N3 and a molecular weight of 377.66 g/mol. Its IUPAC name is 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine.

Molecular Properties

Compound Name2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine
PubChem CID123256377
Molecular FormulaC24H47N3
Molecular Weight377.66 g/mol
Exact Mass377.38
IUPAC Name2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine
SMILESCCCC/N=C(\NC1CCCCC1)NC1CCCC(C(C)C(C)C(C)C)C1
InChIInChI=1S/C24H47N3/c1-6-7-16-25-24(26-22-13-9-8-10-14-22)27-23-15-11-12-21(17-23)20(5)19(4)18(2)3/h18-23H,6-17H2,1-5H3,(H2,25,26,27)
InChIKeyXPIARQQRQXOMDZ-UHFFFAOYSA-N
XLogP6.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dicyclohexyl-2-pentylguanidine
CID 118030780
1,3-dicyclohexyl-2-octylguanidine;hydrochloride
CID 14771737
2-[3-[bis(cyclohexylamino)methylideneamino]propyl]-1,3-dicyclohexylguanidine
CID 20762626
butan-1-amine;2-butyl-1,3-dicyclohexylguanidine;N,N'-dicyclohexylmethanediimine
CID 169432043
1,3-dicyclohexyl-2-(2-hydroxyethyl)guanidine
CID 122691164
1,3-dicyclohexyl-2-(2-hydroxypropyl)guanidine
CID 118456420
1-cyclohexyl-2-octylguanidine
CID 113337391
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
1,3-dicyclohexyl-2-[2-(cyclohexylamino)ethyl]guanidine
CID 129246032
1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate
CID 134346392
1-amino-2-butyl-3-(1-ethylpiperidin-3-yl)guanidine
CID 104884783
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine?
The IUPAC name of 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine (CID 123256377) is 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine.
What is the SMILES notation for 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine?
The canonical SMILES for 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine is CCCC/N=C(\NC1CCCCC1)NC1CCCC(C(C)C(C)C(C)C)C1.
What is the InChIKey of 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine?
The InChIKey is XPIARQQRQXOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3/c1-6-7-16-25-24(26-22-13-9-8-10-14-22)27-23-15-11-12-21(17-23)20(5)19(4)18(2)3/h18-23H,6-17H2,1-5H3,(H2,25,26,27).
What are the key properties of 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine?
2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine has a molecular weight of 377.66 g/mol, XLogP of 6.14, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-cyclohexyl-3-[3-(3,4-dimethylpentan-2-yl)cyclohexyl]guanidine is sourced from PubChem (CID 123256377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).