2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine

C14H23N — CID 138630825

IUPAC2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine
SMILESCC=CC(N)(C(C)C)C1CC=CC=C1C
InChIInChI=1S/C14H23N/c1-5-10-14(15,11(2)3)13-9-7-6-8-12(13)4/h5-8,10-11,13H,9,15H2,1-4H3
InChIKeyFYTVYGNXYXTWSQ-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine

2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine (PubChem CID 138630825) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine
PubChem CID138630825
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine
SMILESCC=CC(N)(C(C)C)C1CC=CC=C1C
InChIInChI=1S/C14H23N/c1-5-10-14(15,11(2)3)13-9-7-6-8-12(13)4/h5-8,10-11,13H,9,15H2,1-4H3
InChIKeyFYTVYGNXYXTWSQ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.44
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-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine?
The IUPAC name of 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine (CID 138630825) is 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine.
What is the SMILES notation for 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine?
The canonical SMILES for 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine is CC=CC(N)(C(C)C)C1CC=CC=C1C.
What is the InChIKey of 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine?
The InChIKey is FYTVYGNXYXTWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-10-14(15,11(2)3)13-9-7-6-8-12(13)4/h5-8,10-11,13H,9,15H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine?
2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine has a molecular weight of 205.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylcyclohexa-2,4-dien-1-yl)hex-4-en-3-amine is sourced from PubChem (CID 138630825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).