4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine

C15H22N2 — CID 144837546

IUPAC4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine
SMILESC=C(/C=C(/C)C(=C)N)CC1=CC(C)=C(N)CC1
InChIInChI=1S/C15H22N2/c1-10(7-11(2)13(4)16)8-14-5-6-15(17)12(3)9-14/h7,9H,1,4-6,8,16-17H2,2-3H3/b11-7-
InChIKeyWHHHNWOZHWGGTJ-XFFZJAGNSA-N
MW230.35 g/mol
LogP3.30
Rot. Bonds4

About 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine

4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine (PubChem CID 144837546) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine
PubChem CID144837546
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine
SMILESC=C(/C=C(/C)C(=C)N)CC1=CC(C)=C(N)CC1
InChIInChI=1S/C15H22N2/c1-10(7-11(2)13(4)16)8-14-5-6-15(17)12(3)9-14/h7,9H,1,4-6,8,16-17H2,2-3H3/b11-7-
InChIKeyWHHHNWOZHWGGTJ-XFFZJAGNSA-N
XLogP3.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine (CID 144837546) is 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine is C=C(/C=C(/C)C(=C)N)CC1=CC(C)=C(N)CC1.
What is the InChIKey of 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is WHHHNWOZHWGGTJ-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(7-11(2)13(4)16)8-14-5-6-15(17)12(3)9-14/h7,9H,1,4-6,8,16-17H2,2-3H3/b11-7-.
What are the key properties of 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine?
4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144837546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).