(1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine

C10H18N2 — CID 166892468

IUPAC(1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/C)N(CC)CC
InChIInChI=1S/C10H18N2/c1-5-8-9-10(11-4)12(6-2)7-3/h5,8-9H,4,6-7H2,1-3H3/b8-5-,10-9+
InChIKeySDFWCTFIXALZQB-RGPKZFNQSA-N
MW166.27 g/mol
LogP2.45
Rot. Bonds5

About (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine

(1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine (PubChem CID 166892468) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine
PubChem CID166892468
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/C)N(CC)CC
InChIInChI=1S/C10H18N2/c1-5-8-9-10(11-4)12(6-2)7-3/h5,8-9H,4,6-7H2,1-3H3/b8-5-,10-9+
InChIKeySDFWCTFIXALZQB-RGPKZFNQSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
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 (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine (CID 166892468) is (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine is C=N/C(=C\C=C/C)N(CC)CC.
What is the InChIKey of (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The InChIKey is SDFWCTFIXALZQB-RGPKZFNQSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-8-9-10(11-4)12(6-2)7-3/h5,8-9H,4,6-7H2,1-3H3/b8-5-,10-9+.
What are the key properties of (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine?
(1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N,N-diethyl-1-(methylideneamino)penta-1,3-dien-1-amine is sourced from PubChem (CID 166892468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).