N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide

C12H22N2O — CID 134406106

IUPACN-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide
SMILESCN/C(C)=C\C/C=C(\C)CCCNC=O
InChIInChI=1S/C12H22N2O/c1-11(7-5-9-14-10-15)6-4-8-12(2)13-3/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,14,15)/b11-6+,12-8-
InChIKeyWZNKPBUUQKJMBM-SZJFEJKCSA-N
MW210.32 g/mol
LogP1.97
Rot. Bonds8

About N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide

N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide (PubChem CID 134406106) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide.

Molecular Properties

Compound NameN-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide
PubChem CID134406106
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide
SMILESCN/C(C)=C\C/C=C(\C)CCCNC=O
InChIInChI=1S/C12H22N2O/c1-11(7-5-9-14-10-15)6-4-8-12(2)13-3/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,14,15)/b11-6+,12-8-
InChIKeyWZNKPBUUQKJMBM-SZJFEJKCSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide?
The IUPAC name of N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide (CID 134406106) is N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide.
What is the SMILES notation for N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide?
The canonical SMILES for N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide is CN/C(C)=C\C/C=C(\C)CCCNC=O.
What is the InChIKey of N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide?
The InChIKey is WZNKPBUUQKJMBM-SZJFEJKCSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(7-5-9-14-10-15)6-4-8-12(2)13-3/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,14,15)/b11-6+,12-8-.
What are the key properties of N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide?
N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide has a molecular weight of 210.32 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide is sourced from PubChem (CID 134406106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).