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

C15H32N4 — CID 102909078

IUPAC1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESCC(C)C(C/N=C(\NN)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H32N4/c1-11(2)14(12(3)4)10-17-15(19-16)18-13-8-6-5-7-9-13/h11-14H,5-10,16H2,1-4H3,(H2,17,18,19)
InChIKeyUKOVIYQFWVUGOF-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.66
Rot. Bonds5

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

1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine (PubChem CID 102909078) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
PubChem CID102909078
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine
SMILESCC(C)C(C/N=C(\NN)NC1CCCCC1)C(C)C
InChIInChI=1S/C15H32N4/c1-11(2)14(12(3)4)10-17-15(19-16)18-13-8-6-5-7-9-13/h11-14H,5-10,16H2,1-4H3,(H2,17,18,19)
InChIKeyUKOVIYQFWVUGOF-UHFFFAOYSA-N
XLogP2.66
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine (CID 102909078) is 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine is CC(C)C(C/N=C(\NN)NC1CCCCC1)C(C)C.
What is the InChIKey of 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
The InChIKey is UKOVIYQFWVUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-11(2)14(12(3)4)10-17-15(19-16)18-13-8-6-5-7-9-13/h11-14H,5-10,16H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine?
1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl)guanidine is sourced from PubChem (CID 102909078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).