(4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine

C10H17N — CID 130290449

IUPAC(4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine
SMILESC=C(/C=C\C)C(=C)NC(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(4)10(5)11-8(2)3/h6-8,11H,4-5H2,1-3H3/b7-6-
InChIKeyGGOFMSRHIFEHHY-SREVYHEPSA-N
MW151.25 g/mol
LogP2.63
Rot. Bonds4

About (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine

(4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine (PubChem CID 130290449) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine
PubChem CID130290449
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine
SMILESC=C(/C=C\C)C(=C)NC(C)C
InChIInChI=1S/C10H17N/c1-6-7-9(4)10(5)11-8(2)3/h6-8,11H,4-5H2,1-3H3/b7-6-
InChIKeyGGOFMSRHIFEHHY-SREVYHEPSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.63
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 (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine?
The IUPAC name of (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine (CID 130290449) is (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine.
What is the SMILES notation for (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine?
The canonical SMILES for (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine is C=C(/C=C\C)C(=C)NC(C)C.
What is the InChIKey of (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine?
The InChIKey is GGOFMSRHIFEHHY-SREVYHEPSA-N. The full InChI is InChI=1S/C10H17N/c1-6-7-9(4)10(5)11-8(2)3/h6-8,11H,4-5H2,1-3H3/b7-6-.
What are the key properties of (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine?
(4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methylidene-N-propan-2-ylhexa-1,4-dien-2-amine is sourced from PubChem (CID 130290449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).