1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine

C18H35N3 — CID 58988598

IUPAC1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine
SMILESCC(C)N=C(N(C)C1CCCCC1)N(C)C1CCCCC1
InChIInChI=1S/C18H35N3/c1-15(2)19-18(20(3)16-11-7-5-8-12-16)21(4)17-13-9-6-10-14-17/h15-17H,5-14H2,1-4H3
InChIKeyKITTVCBEFRBGMR-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.28
Rot. Bonds3

About 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine

1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine (PubChem CID 58988598) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine
PubChem CID58988598
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine
SMILESCC(C)N=C(N(C)C1CCCCC1)N(C)C1CCCCC1
InChIInChI=1S/C18H35N3/c1-15(2)19-18(20(3)16-11-7-5-8-12-16)21(4)17-13-9-6-10-14-17/h15-17H,5-14H2,1-4H3
InChIKeyKITTVCBEFRBGMR-UHFFFAOYSA-N
XLogP4.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine?
The IUPAC name of 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine (CID 58988598) is 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine.
What is the SMILES notation for 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine?
The canonical SMILES for 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine is CC(C)N=C(N(C)C1CCCCC1)N(C)C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine?
The InChIKey is KITTVCBEFRBGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15(2)19-18(20(3)16-11-7-5-8-12-16)21(4)17-13-9-6-10-14-17/h15-17H,5-14H2,1-4H3.
What are the key properties of 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine?
1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine has a molecular weight of 293.50 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-1,3-dimethyl-2-propan-2-ylguanidine is sourced from PubChem (CID 58988598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).