N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine

C14H27N — CID 19873483

IUPACN-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine
SMILESCCN(CC)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C14H27N/c1-6-15(7-2)11-13-12(3)9-8-10-14(13,4)5/h6-11H2,1-5H3
InChIKeyMZEKJDYRNSQOEJ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.85
Rot. Bonds4

About N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine

N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine (PubChem CID 19873483) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine
PubChem CID19873483
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine
SMILESCCN(CC)CC1=C(C)CCCC1(C)C
InChIInChI=1S/C14H27N/c1-6-15(7-2)11-13-12(3)9-8-10-14(13,4)5/h6-11H2,1-5H3
InChIKeyMZEKJDYRNSQOEJ-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
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-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine (CID 19873483) is N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine is CCN(CC)CC1=C(C)CCCC1(C)C.
What is the InChIKey of N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine?
The InChIKey is MZEKJDYRNSQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-15(7-2)11-13-12(3)9-8-10-14(13,4)5/h6-11H2,1-5H3.
What are the key properties of N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine?
N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine is sourced from PubChem (CID 19873483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).