(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine

C12H21N3 — CID 178170714

IUPAC(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
SMILES[H]/N=C(\C=C(\C)N)C(=C)N1CCC(CC)C1
InChIInChI=1S/C12H21N3/c1-4-11-5-6-15(8-11)10(3)12(14)7-9(2)13/h7,11,14H,3-6,8,13H2,1-2H3/b9-7-,14-12+
InChIKeyODCXUTMXFJHAMC-LTPFSSFFSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds4

About (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine

(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine (PubChem CID 178170714) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine.

Molecular Properties

Compound Name(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
PubChem CID178170714
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine
SMILES[H]/N=C(\C=C(\C)N)C(=C)N1CCC(CC)C1
InChIInChI=1S/C12H21N3/c1-4-11-5-6-15(8-11)10(3)12(14)7-9(2)13/h7,11,14H,3-6,8,13H2,1-2H3/b9-7-,14-12+
InChIKeyODCXUTMXFJHAMC-LTPFSSFFSA-N
XLogP2.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
The IUPAC name of (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine (CID 178170714) is (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine.
What is the SMILES notation for (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
The canonical SMILES for (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine is [H]/N=C(\C=C(\C)N)C(=C)N1CCC(CC)C1.
What is the InChIKey of (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
The InChIKey is ODCXUTMXFJHAMC-LTPFSSFFSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-11-5-6-15(8-11)10(3)12(14)7-9(2)13/h7,11,14H,3-6,8,13H2,1-2H3/b9-7-,14-12+.
What are the key properties of (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine?
(2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(3-ethylpyrrolidin-1-yl)-4-iminohexa-2,5-dien-2-amine is sourced from PubChem (CID 178170714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).