(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine

C10H18N2 — CID 134473261

IUPAC(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine
SMILES[H]/N=C/C(=C)/C(=C\CC)NC(C)C
InChIInChI=1S/C10H18N2/c1-5-6-10(9(4)7-11)12-8(2)3/h6-8,11-12H,4-5H2,1-3H3/b10-6+,11-7+
InChIKeyFRXPIHZWPSPMRG-JMQWPVDRSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds5

About (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine

(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine (PubChem CID 134473261) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine
PubChem CID134473261
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine
SMILES[H]/N=C/C(=C)/C(=C\CC)NC(C)C
InChIInChI=1S/C10H18N2/c1-5-6-10(9(4)7-11)12-8(2)3/h6-8,11-12H,4-5H2,1-3H3/b10-6+,11-7+
InChIKeyFRXPIHZWPSPMRG-JMQWPVDRSA-N
XLogP2.48
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine?
The IUPAC name of (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine (CID 134473261) is (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine.
What is the SMILES notation for (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine?
The canonical SMILES for (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine is [H]/N=C/C(=C)/C(=C\CC)NC(C)C.
What is the InChIKey of (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine?
The InChIKey is FRXPIHZWPSPMRG-JMQWPVDRSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-10(9(4)7-11)12-8(2)3/h6-8,11-12H,4-5H2,1-3H3/b10-6+,11-7+.
What are the key properties of (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine?
(3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methanimidoyl-N-propan-2-ylhexa-1,3-dien-3-amine is sourced from PubChem (CID 134473261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).