(E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine

C14H25N — CID 90473545

IUPAC(E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine
SMILESCC1=CCCC(C)(C)C1/C=C/CN(C)C
InChIInChI=1S/C14H25N/c1-12-8-6-10-14(2,3)13(12)9-7-11-15(4)5/h7-9,13H,6,10-11H2,1-5H3/b9-7+
InChIKeyAGMLGGHAFCLZCR-VQHVLOKHSA-N
MW207.36 g/mol
LogP3.49
Rot. Bonds3

About (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine

(E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine (PubChem CID 90473545) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine
PubChem CID90473545
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine
SMILESCC1=CCCC(C)(C)C1/C=C/CN(C)C
InChIInChI=1S/C14H25N/c1-12-8-6-10-14(2,3)13(12)9-7-11-15(4)5/h7-9,13H,6,10-11H2,1-5H3/b9-7+
InChIKeyAGMLGGHAFCLZCR-VQHVLOKHSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.49
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 (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine (CID 90473545) is (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine is CC1=CCCC(C)(C)C1/C=C/CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine?
The InChIKey is AGMLGGHAFCLZCR-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H25N/c1-12-8-6-10-14(2,3)13(12)9-7-11-15(4)5/h7-9,13H,6,10-11H2,1-5H3/b9-7+.
What are the key properties of (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine?
(E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 90473545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).