N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide

C13H25N3 — CID 143882856

IUPACN'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide
SMILESC=C(CCCCC/C(C)=C/NC)/N=C(\C)N
InChIInChI=1S/C13H25N3/c1-11(10-15-4)8-6-5-7-9-12(2)16-13(3)14/h10,15H,2,5-9H2,1,3-4H3,(H2,14,16)/b11-10+
InChIKeyTTXATTJBKHAHLD-ZHACJKMWSA-N
MW223.36 g/mol
LogP2.95
Rot. Bonds8

About N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide

N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide (PubChem CID 143882856) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide
PubChem CID143882856
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide
SMILESC=C(CCCCC/C(C)=C/NC)/N=C(\C)N
InChIInChI=1S/C13H25N3/c1-11(10-15-4)8-6-5-7-9-12(2)16-13(3)14/h10,15H,2,5-9H2,1,3-4H3,(H2,14,16)/b11-10+
InChIKeyTTXATTJBKHAHLD-ZHACJKMWSA-N
XLogP2.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-hexadecyl-1,2-dimethyl-1H-imidazol-1-ium bromide
CID 68807986
(8E)-8-methyl-4-methylidene-3,5,6,7-tetrahydroazonin-2-amine
CID 89173672
N'-hexyl-N-(2-methylbut-1-enyl)ethanimidamide
CID 123489445
N'-[7-(but-1-en-2-ylamino)heptyl]ethanimidamide
CID 132065856
4-hexyl-1,2-dimethyl-1H-imidazol-1-ium
CID 148547557
4-butyl-1,2-dimethyl-1H-imidazol-1-ium
CID 154065056
iodanium 4-hexyl-1,2-dimethyl-1H-imidazol-1-ium
CID 160724520

Frequently Asked Questions

What is the IUPAC name of N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide (CID 143882856) is N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide is C=C(CCCCC/C(C)=C/NC)/N=C(\C)N.
What is the InChIKey of N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide?
The InChIKey is TTXATTJBKHAHLD-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(10-15-4)8-6-5-7-9-12(2)16-13(3)14/h10,15H,2,5-9H2,1,3-4H3,(H2,14,16)/b11-10+.
What are the key properties of N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide?
N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide has a molecular weight of 223.36 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(8E)-8-methyl-9-(methylamino)nona-1,8-dien-2-yl]ethanimidamide is sourced from PubChem (CID 143882856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).