2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine

C16H29N — CID 130336876

IUPAC2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine
SMILESC=C(CC)C1C(C)CCCC1(N)C1C(C)C1C
InChIInChI=1S/C16H29N/c1-6-10(2)14-11(3)8-7-9-16(14,17)15-12(4)13(15)5/h11-15H,2,6-9,17H2,1,3-5H3
InChIKeyRWIQOEMCLZWSOW-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.99
Rot. Bonds3

About 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine

2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine (PubChem CID 130336876) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine
PubChem CID130336876
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine
SMILESC=C(CC)C1C(C)CCCC1(N)C1C(C)C1C
InChIInChI=1S/C16H29N/c1-6-10(2)14-11(3)8-7-9-16(14,17)15-12(4)13(15)5/h11-15H,2,6-9,17H2,1,3-5H3
InChIKeyRWIQOEMCLZWSOW-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine (CID 130336876) is 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine is C=C(CC)C1C(C)CCCC1(N)C1C(C)C1C.
What is the InChIKey of 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine?
The InChIKey is RWIQOEMCLZWSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-6-10(2)14-11(3)8-7-9-16(14,17)15-12(4)13(15)5/h11-15H,2,6-9,17H2,1,3-5H3.
What are the key properties of 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine?
2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-1-(2,3-dimethylcyclopropyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 130336876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).