2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine

C11H16N2 — CID 142244110

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=C/C=C\C=C(/C)C1CCC(N)=N1
InChIInChI=1S/C11H16N2/c1-3-4-5-6-9(2)10-7-8-11(12)13-10/h3-6,10H,1,7-8H2,2H3,(H2,12,13)/b5-4-,9-6+
InChIKeyZAAISMFVBMXOPZ-KMOPYBJPSA-N
MW176.26 g/mol
LogP2.19
Rot. Bonds3

About 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 142244110) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID142244110
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=C/C=C\C=C(/C)C1CCC(N)=N1
InChIInChI=1S/C11H16N2/c1-3-4-5-6-9(2)10-7-8-11(12)13-10/h3-6,10H,1,7-8H2,2H3,(H2,12,13)/b5-4-,9-6+
InChIKeyZAAISMFVBMXOPZ-KMOPYBJPSA-N
XLogP2.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
CID 44313353
N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
CID 155728926
2-but-1-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 54004246
N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide
CID 59072782
N'-[(E)-6-amino-4,6-dimethylhept-4-enyl]ethanimidamide
CID 59898084
3-butyl-2H-pyrrol-5-amine
CID 70140066
2-(5-aminohexa-1,3-dienyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 73430801
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole
CID 118029493
4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole
CID 118029501
4-[3-(4-aminopentyl)-6,7-dimethylcyclohepta-1,3,6-trien-1-yl]-N',3-dimethyl-2-propylidenehex-3-enimidamide
CID 123659886
(2Z,4Z)-5-methyl-N'-propan-2-ylhepta-2,4-dienimidamide
CID 130224282

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine (CID 142244110) is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine is C=C/C=C\C=C(/C)C1CCC(N)=N1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is ZAAISMFVBMXOPZ-KMOPYBJPSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-4-5-6-9(2)10-7-8-11(12)13-10/h3-6,10H,1,7-8H2,2H3,(H2,12,13)/b5-4-,9-6+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine?
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 176.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 142244110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).