6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine

C13H20N2 — CID 146264934

IUPAC6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine
SMILESC=NC1C=CC=CC1NCCCC(=C)C
InChIInChI=1S/C13H20N2/c1-11(2)7-6-10-15-13-9-5-4-8-12(13)14-3/h4-5,8-9,12-13,15H,1,3,6-7,10H2,2H3
InChIKeyXDTVTGQZSRSBFD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.50
Rot. Bonds6

About 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine

6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine (PubChem CID 146264934) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine
PubChem CID146264934
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine
SMILESC=NC1C=CC=CC1NCCCC(=C)C
InChIInChI=1S/C13H20N2/c1-11(2)7-6-10-15-13-9-5-4-8-12(13)14-3/h4-5,8-9,12-13,15H,1,3,6-7,10H2,2H3
InChIKeyXDTVTGQZSRSBFD-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine (CID 146264934) is 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine is C=NC1C=CC=CC1NCCCC(=C)C.
What is the InChIKey of 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is XDTVTGQZSRSBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(2)7-6-10-15-13-9-5-4-8-12(13)14-3/h4-5,8-9,12-13,15H,1,3,6-7,10H2,2H3.
What are the key properties of 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine?
6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylideneamino)-N-(4-methylpent-4-enyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 146264934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).