(1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine

C10H19N3 — CID 90453474

IUPAC(1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine
SMILESC=CC(N)/C(C)=C(\N=C)N(C)CC
InChIInChI=1S/C10H19N3/c1-6-9(11)8(3)10(12-4)13(5)7-2/h6,9H,1,4,7,11H2,2-3,5H3/b10-8+
InChIKeyLZEGDIMSVVXRFY-CSKARUKUSA-N
MW181.28 g/mol
LogP1.38
Rot. Bonds5

About (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine

(1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine (PubChem CID 90453474) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine
PubChem CID90453474
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine
SMILESC=CC(N)/C(C)=C(\N=C)N(C)CC
InChIInChI=1S/C10H19N3/c1-6-9(11)8(3)10(12-4)13(5)7-2/h6,9H,1,4,7,11H2,2-3,5H3/b10-8+
InChIKeyLZEGDIMSVVXRFY-CSKARUKUSA-N
XLogP1.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine?
The IUPAC name of (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine (CID 90453474) is (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine.
What is the SMILES notation for (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine?
The canonical SMILES for (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine is C=CC(N)/C(C)=C(\N=C)N(C)CC.
What is the InChIKey of (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine?
The InChIKey is LZEGDIMSVVXRFY-CSKARUKUSA-N. The full InChI is InChI=1S/C10H19N3/c1-6-9(11)8(3)10(12-4)13(5)7-2/h6,9H,1,4,7,11H2,2-3,5H3/b10-8+.
What are the key properties of (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine?
(1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N-ethyl-1-N,2-dimethyl-1-(methylideneamino)penta-1,4-diene-1,3-diamine is sourced from PubChem (CID 90453474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).