(2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine

C10H17N — CID 139250141

IUPAC(2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine
SMILESC=CCNC/C=C/C(C)=C/C
InChIInChI=1S/C10H17N/c1-4-8-11-9-6-7-10(3)5-2/h4-7,11H,1,8-9H2,2-3H3/b7-6+,10-5+
InChIKeyVWERBUMDAAFIJC-XYLIHAQWSA-N
MW151.25 g/mol
LogP2.28
Rot. Bonds5

About (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine

(2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine (PubChem CID 139250141) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine
PubChem CID139250141
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine
SMILESC=CCNC/C=C/C(C)=C/C
InChIInChI=1S/C10H17N/c1-4-8-11-9-6-7-10(3)5-2/h4-7,11H,1,8-9H2,2-3H3/b7-6+,10-5+
InChIKeyVWERBUMDAAFIJC-XYLIHAQWSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine (CID 139250141) is (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine is C=CCNC/C=C/C(C)=C/C.
What is the InChIKey of (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine?
The InChIKey is VWERBUMDAAFIJC-XYLIHAQWSA-N. The full InChI is InChI=1S/C10H17N/c1-4-8-11-9-6-7-10(3)5-2/h4-7,11H,1,8-9H2,2-3H3/b7-6+,10-5+.
What are the key properties of (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine?
(2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methyl-N-prop-2-enylhexa-2,4-dien-1-amine is sourced from PubChem (CID 139250141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).