(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine

C9H15N — CID 163753108

IUPAC(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
SMILESC=CC(=C)/C(C)=C(/C)NC
InChIInChI=1S/C9H15N/c1-6-7(2)8(3)9(4)10-5/h6,10H,1-2H2,3-5H3/b9-8-
InChIKeyLRTGBSSOFDYZPZ-HJWRWDBZSA-N
MW137.23 g/mol
LogP2.24
Rot. Bonds3

About (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine

(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine (PubChem CID 163753108) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
PubChem CID163753108
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
SMILESC=CC(=C)/C(C)=C(/C)NC
InChIInChI=1S/C9H15N/c1-6-7(2)8(3)9(4)10-5/h6,10H,1-2H2,3-5H3/b9-8-
InChIKeyLRTGBSSOFDYZPZ-HJWRWDBZSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine?
The IUPAC name of (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine (CID 163753108) is (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine.
What is the SMILES notation for (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine?
The canonical SMILES for (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine is C=CC(=C)/C(C)=C(/C)NC.
What is the InChIKey of (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine?
The InChIKey is LRTGBSSOFDYZPZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H15N/c1-6-7(2)8(3)9(4)10-5/h6,10H,1-2H2,3-5H3/b9-8-.
What are the key properties of (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine?
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine has a molecular weight of 137.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine is sourced from PubChem (CID 163753108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).