(2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine

C12H20N2 — CID 143496781

IUPAC(2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)C1CCCN1C
InChIInChI=1S/C12H20N2/c1-4-11(13)8-7-10(2)12-6-5-9-14(12)3/h4,7-8,12H,2,5-6,9,13H2,1,3H3/b8-7-,11-4+
InChIKeyIAGZPBZQNNDCLI-WJMWGRLLSA-N
MW192.31 g/mol
LogP2.06
Rot. Bonds3

About (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine

(2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine (PubChem CID 143496781) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine
PubChem CID143496781
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)C1CCCN1C
InChIInChI=1S/C12H20N2/c1-4-11(13)8-7-10(2)12-6-5-9-14(12)3/h4,7-8,12H,2,5-6,9,13H2,1,3H3/b8-7-,11-4+
InChIKeyIAGZPBZQNNDCLI-WJMWGRLLSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine (CID 143496781) is (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C/C)C1CCCN1C.
What is the InChIKey of (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine?
The InChIKey is IAGZPBZQNNDCLI-WJMWGRLLSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(13)8-7-10(2)12-6-5-9-14(12)3/h4,7-8,12H,2,5-6,9,13H2,1,3H3/b8-7-,11-4+.
What are the key properties of (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine has a molecular weight of 192.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-(1-methylpyrrolidin-2-yl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 143496781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).