1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine

C12H22N2 — CID 134177612

IUPAC1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine
SMILESC=C(NCC)NC(=C)/C(=C\C)C(C)C
InChIInChI=1S/C12H22N2/c1-7-12(9(3)4)10(5)14-11(6)13-8-2/h7,9,13-14H,5-6,8H2,1-4H3/b12-7-
InChIKeyZTGNYDOWXFYYAP-GHXNOFRVSA-N
MW194.32 g/mol
LogP2.77
Rot. Bonds6

About 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine

1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine (PubChem CID 134177612) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine
PubChem CID134177612
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine
SMILESC=C(NCC)NC(=C)/C(=C\C)C(C)C
InChIInChI=1S/C12H22N2/c1-7-12(9(3)4)10(5)14-11(6)13-8-2/h7,9,13-14H,5-6,8H2,1-4H3/b12-7-
InChIKeyZTGNYDOWXFYYAP-GHXNOFRVSA-N
XLogP2.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine?
The IUPAC name of 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine (CID 134177612) is 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine is C=C(NCC)NC(=C)/C(=C\C)C(C)C.
What is the InChIKey of 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine?
The InChIKey is ZTGNYDOWXFYYAP-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-12(9(3)4)10(5)14-11(6)13-8-2/h7,9,13-14H,5-6,8H2,1-4H3/b12-7-.
What are the key properties of 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine?
1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N'-[(3Z)-3-propan-2-ylpenta-1,3-dien-2-yl]ethene-1,1-diamine is sourced from PubChem (CID 134177612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).