N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine

C15H23N — CID 66765762

IUPACN,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine
SMILESC=CCC(C)C(C)=C1CC=CC=C1N(C)C
InChIInChI=1S/C15H23N/c1-6-9-12(2)13(3)14-10-7-8-11-15(14)16(4)5/h6-8,11-12H,1,9-10H2,2-5H3
InChIKeyQCDHLXOBHXHLJY-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.92
Rot. Bonds4

About N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine

N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine (PubChem CID 66765762) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine
PubChem CID66765762
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine
SMILESC=CCC(C)C(C)=C1CC=CC=C1N(C)C
InChIInChI=1S/C15H23N/c1-6-9-12(2)13(3)14-10-7-8-11-15(14)16(4)5/h6-8,11-12H,1,9-10H2,2-5H3
InChIKeyQCDHLXOBHXHLJY-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.92
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,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine (CID 66765762) is N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine is C=CCC(C)C(C)=C1CC=CC=C1N(C)C.
What is the InChIKey of N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine?
The InChIKey is QCDHLXOBHXHLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-6-9-12(2)13(3)14-10-7-8-11-15(14)16(4)5/h6-8,11-12H,1,9-10H2,2-5H3.
What are the key properties of N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine?
N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 66765762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).