N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide

C11H20N2O — CID 143497271

IUPACN-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide
SMILESC/C=C(\C=C/CCN(C)CC)NC=O
InChIInChI=1S/C11H20N2O/c1-4-11(12-10-14)8-6-7-9-13(3)5-2/h4,6,8,10H,5,7,9H2,1-3H3,(H,12,14)/b8-6-,11-4+
InChIKeyYNBWEYWNAMIRCU-AQBSNJSWSA-N
MW196.29 g/mol
LogP1.53
Rot. Bonds7

About N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide

N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide (PubChem CID 143497271) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide
PubChem CID143497271
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide
SMILESC/C=C(\C=C/CCN(C)CC)NC=O
InChIInChI=1S/C11H20N2O/c1-4-11(12-10-14)8-6-7-9-13(3)5-2/h4,6,8,10H,5,7,9H2,1-3H3,(H,12,14)/b8-6-,11-4+
InChIKeyYNBWEYWNAMIRCU-AQBSNJSWSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-[(1E,3E)-1-fluoro-5-(methylamino)octa-1,3,6-trien-4-yl]formamide
CID 155348345
N-[(2E,4Z,6Z)-7-[(5,7-difluorocyclohepta-1,3,6-trien-1-yl)-methylamino]-4-methylocta-2,4,6-trienyl]formamide
CID 174003396
N-[(2E,4E,6E)-7-fluoro-5-(pyrrolidin-1-ylmethyl)octa-2,4,6-trien-2-yl]formamide
CID 142246679
N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide
CID 143496393
N-(1,5-diethyl-2-methyl-2H-pyridin-3-yl)formamide
CID 57234254
N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide
CID 89214733
N-[4-(2,5-dihydropyrrol-1-yl)-6-methylcyclohexa-1,5-dien-1-yl]formamide
CID 89215095
N-[3-(dimethylamino)hepta-3,5-dienyl]formamide
CID 123139611
N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
CID 123444825
N-[(2Z,4E)-1-(dimethylamino)hepta-2,4-dien-4-yl]acetamide
CID 129313291
N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide
CID 134406426
N-[2-(ethylamino)ethyl]-N-[(3E,5Z)-6-(methylamino)hepta-3,5-dien-3-yl]formamide
CID 134406787

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide?
The IUPAC name of N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide (CID 143497271) is N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide.
What is the SMILES notation for N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide?
The canonical SMILES for N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide is C/C=C(\C=C/CCN(C)CC)NC=O.
What is the InChIKey of N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide?
The InChIKey is YNBWEYWNAMIRCU-AQBSNJSWSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-11(12-10-14)8-6-7-9-13(3)5-2/h4,6,8,10H,5,7,9H2,1-3H3,(H,12,14)/b8-6-,11-4+.
What are the key properties of N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide?
N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide has a molecular weight of 196.29 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-7-[ethyl(methyl)amino]hepta-2,4-dien-3-yl]formamide is sourced from PubChem (CID 143497271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).