2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine

C17H35N3 — CID 54575026

IUPAC2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine
SMILESCCN(CC)/C(=N\C1CCCCC1)N(C(C)C)C(C)C
InChIInChI=1S/C17H35N3/c1-7-19(8-2)17(20(14(3)4)15(5)6)18-16-12-10-9-11-13-16/h14-16H,7-13H2,1-6H3/b18-17+
InChIKeyZZZILKDNVZXEBO-ISLYRVAYSA-N
MW281.49 g/mol
LogP4.14
Rot. Bonds5

About 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine

2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine (PubChem CID 54575026) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine
PubChem CID54575026
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine
SMILESCCN(CC)/C(=N\C1CCCCC1)N(C(C)C)C(C)C
InChIInChI=1S/C17H35N3/c1-7-19(8-2)17(20(14(3)4)15(5)6)18-16-12-10-9-11-13-16/h14-16H,7-13H2,1-6H3/b18-17+
InChIKeyZZZILKDNVZXEBO-ISLYRVAYSA-N
XLogP4.14
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.14
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 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine (CID 54575026) is 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine is CCN(CC)/C(=N\C1CCCCC1)N(C(C)C)C(C)C.
What is the InChIKey of 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine?
The InChIKey is ZZZILKDNVZXEBO-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H35N3/c1-7-19(8-2)17(20(14(3)4)15(5)6)18-16-12-10-9-11-13-16/h14-16H,7-13H2,1-6H3/b18-17+.
What are the key properties of 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine?
2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine has a molecular weight of 281.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,1-diethyl-3,3-di(propan-2-yl)guanidine is sourced from PubChem (CID 54575026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).