1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine

C15H29N3 — CID 78965822

IUPAC1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine
SMILESCC(C)C1CCCCC1/N=C(\N)NC1CCCC1
InChIInChI=1S/C15H29N3/c1-11(2)13-9-5-6-10-14(13)18-15(16)17-12-7-3-4-8-12/h11-14H,3-10H2,1-2H3,(H3,16,17,18)
InChIKeySZKSXOKBFAYOSY-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.05
Rot. Bonds3

About 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine

1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine (PubChem CID 78965822) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine
PubChem CID78965822
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine
SMILESCC(C)C1CCCCC1/N=C(\N)NC1CCCC1
InChIInChI=1S/C15H29N3/c1-11(2)13-9-5-6-10-14(13)18-15(16)17-12-7-3-4-8-12/h11-14H,3-10H2,1-2H3,(H3,16,17,18)
InChIKeySZKSXOKBFAYOSY-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.05
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-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965901
1-cycloheptyl-2-[(1S,2S)-2-(difluoromethyl)cyclopropyl]guanidine
CID 122082690
1-cyclopentyl-2-(2-methoxycyclopentyl)guanidine
CID 62362535
1-cycloheptyl-2-[(1R,2S)-2-cyclopropylcyclopropyl]guanidine
CID 122082390
1-cyclopropyl-2-(2,3-dimethylcyclobutyl)guanidine
CID 130993715
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine
CID 78965826
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925273
2-(2-benzylcyclopropyl)-1-cyclohexylguanidine
CID 119148315
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 120671387
1-cyclopentyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 55063922

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine (CID 78965822) is 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine is CC(C)C1CCCCC1/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine?
The InChIKey is SZKSXOKBFAYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-11(2)13-9-5-6-10-14(13)18-15(16)17-12-7-3-4-8-12/h11-14H,3-10H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine?
1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine has a molecular weight of 251.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-propan-2-ylcyclohexyl)guanidine is sourced from PubChem (CID 78965822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).