(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine

C10H18N2 — CID 88918610

IUPAC(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine
SMILESC=NC(=C/CC)/C(=C\C)NCC
InChIInChI=1S/C10H18N2/c1-5-8-10(11-4)9(6-2)12-7-3/h6,8,12H,4-5,7H2,1-3H3/b9-6+,10-8+
InChIKeyKLEISIXANBWQHN-OAMUUVBCSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds5

About (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine

(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine (PubChem CID 88918610) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine
PubChem CID88918610
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine
SMILESC=NC(=C/CC)/C(=C\C)NCC
InChIInChI=1S/C10H18N2/c1-5-8-10(11-4)9(6-2)12-7-3/h6,8,12H,4-5,7H2,1-3H3/b9-6+,10-8+
InChIKeyKLEISIXANBWQHN-OAMUUVBCSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
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 (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine (CID 88918610) is (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine is C=NC(=C/CC)/C(=C\C)NCC.
What is the InChIKey of (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine?
The InChIKey is KLEISIXANBWQHN-OAMUUVBCSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-8-10(11-4)9(6-2)12-7-3/h6,8,12H,4-5,7H2,1-3H3/b9-6+,10-8+.
What are the key properties of (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine?
(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine is sourced from PubChem (CID 88918610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).