2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine

C14H27N — CID 2855187

IUPAC2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
SMILESCC1=CC(C)C(CNCC(C)C)C(C)C1
InChIInChI=1S/C14H27N/c1-10(2)8-15-9-14-12(4)6-11(3)7-13(14)5/h6,10,12-15H,7-9H2,1-5H3
InChIKeyLYDDCMLXSZPXMZ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.47
Rot. Bonds4

About 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine

2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine (PubChem CID 2855187) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
PubChem CID2855187
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
SMILESCC1=CC(C)C(CNCC(C)C)C(C)C1
InChIInChI=1S/C14H27N/c1-10(2)8-15-9-14-12(4)6-11(3)7-13(14)5/h6,10,12-15H,7-9H2,1-5H3
InChIKeyLYDDCMLXSZPXMZ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine (CID 2855187) is 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine is CC1=CC(C)C(CNCC(C)C)C(C)C1.
What is the InChIKey of 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The InChIKey is LYDDCMLXSZPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)8-15-9-14-12(4)6-11(3)7-13(14)5/h6,10,12-15H,7-9H2,1-5H3.
What are the key properties of 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 2855187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).