N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine

C14H27N — CID 103093402

IUPACN-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine
SMILESCCNC(C)C(C)=CC1CCCC(C)C1
InChIInChI=1S/C14H27N/c1-5-15-13(4)12(3)10-14-8-6-7-11(2)9-14/h10-11,13-15H,5-9H2,1-4H3
InChIKeyUNESUSXQDAUMRN-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds4

About N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine

N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine (PubChem CID 103093402) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine
PubChem CID103093402
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine
SMILESCCNC(C)C(C)=CC1CCCC(C)C1
InChIInChI=1S/C14H27N/c1-5-15-13(4)12(3)10-14-8-6-7-11(2)9-14/h10-11,13-15H,5-9H2,1-4H3
InChIKeyUNESUSXQDAUMRN-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
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 N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine?
The IUPAC name of N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine (CID 103093402) is N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine?
The canonical SMILES for N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine is CCNC(C)C(C)=CC1CCCC(C)C1.
What is the InChIKey of N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine?
The InChIKey is UNESUSXQDAUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-15-13(4)12(3)10-14-8-6-7-11(2)9-14/h10-11,13-15H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine?
N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-amine is sourced from PubChem (CID 103093402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).