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

C9H16N2 — CID 134473203

IUPAC(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine
SMILES[H]/N=C/C(=C)/C(=C\C)NC(C)C
InChIInChI=1S/C9H16N2/c1-5-9(8(4)6-10)11-7(2)3/h5-7,10-11H,4H2,1-3H3/b9-5+,10-6+
InChIKeyPKVXGOZGDZEUDM-NXZHAISVSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds4

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

(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine (PubChem CID 134473203) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine
PubChem CID134473203
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine
SMILES[H]/N=C/C(=C)/C(=C\C)NC(C)C
InChIInChI=1S/C9H16N2/c1-5-9(8(4)6-10)11-7(2)3/h5-7,10-11H,4H2,1-3H3/b9-5+,10-6+
InChIKeyPKVXGOZGDZEUDM-NXZHAISVSA-N
XLogP2.09
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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-ylpenta-1,3-dien-3-amine?
The IUPAC name of (3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine (CID 134473203) is (3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine is [H]/N=C/C(=C)/C(=C\C)NC(C)C.
What is the InChIKey of (3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine?
The InChIKey is PKVXGOZGDZEUDM-NXZHAISVSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(8(4)6-10)11-7(2)3/h5-7,10-11H,4H2,1-3H3/b9-5+,10-6+.
What are the key properties of (3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine?
(3E)-2-methanimidoyl-N-propan-2-ylpenta-1,3-dien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 2.09, 4 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-ylpenta-1,3-dien-3-amine is sourced from PubChem (CID 134473203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).