(2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide

C12H22N2O — CID 118439844

IUPAC(2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide
SMILESCC/C=C\C=C\CNC(=O)[C@@H](N)CCC
InChIInChI=1S/C12H22N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h5-8,11H,3-4,9-10,13H2,1-2H3,(H,14,15)/b6-5-,8-7+/t11-/m0/s1
InChIKeyLZZUYMDEJFHSGY-XUZWOMTRSA-N
MW210.32 g/mol
LogP1.75
Rot. Bonds7

About (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide

(2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide (PubChem CID 118439844) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide
PubChem CID118439844
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide
SMILESCC/C=C\C=C\CNC(=O)[C@@H](N)CCC
InChIInChI=1S/C12H22N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h5-8,11H,3-4,9-10,13H2,1-2H3,(H,14,15)/b6-5-,8-7+/t11-/m0/s1
InChIKeyLZZUYMDEJFHSGY-XUZWOMTRSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z,8Z,11Z,14Z,17Z)-N-(2-Aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154
(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
2,6-Diamino-1-(3,6-dihydro-2H-pyridin-1-yl)-hexan-1-one
CID 44364231
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
6-amino-N-(6-amino-4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)hexanamide
CID 143955319
(Z,4E)-N-[(2R)-1-aminopropan-2-yl]-4-(1-fluoroethylidene)oct-5-enamide
CID 145077821
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorocyclohexa-1,5-dien-1-yl)propanamide
CID 145077823
N-[(2Z)-3-fluoro-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]pyrrolidine-2-carboxamide
CID 153350983
(3S)-4-amino-N-[(Z,2S,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]-3-fluoropentanamide
CID 163952641
(2S)-2,6-diamino-N-[(Z,2Z)-2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]hexanamide
CID 164530481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide (CID 118439844) is (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide is CC/C=C\C=C\CNC(=O)[C@@H](N)CCC.
What is the InChIKey of (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide?
The InChIKey is LZZUYMDEJFHSGY-XUZWOMTRSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-6-7-8-10-14-12(15)11(13)9-4-2/h5-8,11H,3-4,9-10,13H2,1-2H3,(H,14,15)/b6-5-,8-7+/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide?
(2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide has a molecular weight of 210.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2E,4Z)-hepta-2,4-dienyl]pentanamide is sourced from PubChem (CID 118439844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).