N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide

C18H35N3O — CID 91416111

IUPACN-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide
SMILES[H]/N=C(\N=C)C(CC(C)C)NC(=O)CCCCCC(C)C(C)C
InChIInChI=1S/C18H35N3O/c1-13(2)12-16(18(19)20-6)21-17(22)11-9-7-8-10-15(5)14(3)4/h13-16,19H,6-12H2,1-5H3,(H,21,22)/b19-18-
InChIKeyJOKATZUPAGVYLS-HNENSFHCSA-N
MW309.50 g/mol
LogP4.44
Rot. Bonds11

About N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide

N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide (PubChem CID 91416111) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide.

Molecular Properties

Compound NameN-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide
PubChem CID91416111
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC NameN-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide
SMILES[H]/N=C(\N=C)C(CC(C)C)NC(=O)CCCCCC(C)C(C)C
InChIInChI=1S/C18H35N3O/c1-13(2)12-16(18(19)20-6)21-17(22)11-9-7-8-10-15(5)14(3)4/h13-16,19H,6-12H2,1-5H3,(H,21,22)/b19-18-
InChIKeyJOKATZUPAGVYLS-HNENSFHCSA-N
XLogP4.44
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.44
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

N-[4-(4,5-dihydro-1H-imidazol-2-yl)octadecan-2-yl]hexadecanamide
CID 18539853
N-[4-(4,5-dihydro-1H-imidazol-2-yl)octadecan-3-yl]hexadecanamide
CID 20131719
N-[4-(4,5-dihydro-1H-imidazol-2-yl)octadecan-3-yl]octadecanamide
CID 20131720
N-[4-(4,5-dihydro-1H-imidazol-2-yl)hexadecan-3-yl]hexadecanamide
CID 20131723
N-[3-(1-methyl-4,5-dihydroimidazol-2-yl)nonadecyl]octadecanamide
CID 20289385
N-[4-(4,5-dihydro-1H-imidazol-2-yl)icosyl]octadecanamide
CID 53789180
N-[4-(4,5-dihydro-1H-imidazol-2-yl)icosan-2-yl]octadecanamide
CID 54037452
N-[4-(4,5-dihydro-1H-imidazol-2-yl)octadecyl]hexadecanamide
CID 54562287
2-[(2,8-Diamino-8-imino-2-methyloctanoyl)amino]ethyl-diethyl-methylazanium
CID 58262499
2-[[8-Amino-2-(1-aminoethylideneamino)-8-imino-2-methyloctanoyl]amino]ethyl-diethyl-methylazanium
CID 58262503
N-[4-(4,5-dihydro-1H-imidazol-2-yl)nonadecyl]octadecanamide
CID 67907383
N-[4-(4,5-dihydro-1H-imidazol-2-yl)nonadecyl]octadecanamide;hydrochloride
CID 122552473

Frequently Asked Questions

What is the IUPAC name of N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide?
The IUPAC name of N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide (CID 91416111) is N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide.
What is the SMILES notation for N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide?
The canonical SMILES for N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide is [H]/N=C(\N=C)C(CC(C)C)NC(=O)CCCCCC(C)C(C)C.
What is the InChIKey of N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide?
The InChIKey is JOKATZUPAGVYLS-HNENSFHCSA-N. The full InChI is InChI=1S/C18H35N3O/c1-13(2)12-16(18(19)20-6)21-17(22)11-9-7-8-10-15(5)14(3)4/h13-16,19H,6-12H2,1-5H3,(H,21,22)/b19-18-.
What are the key properties of N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide?
N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide has a molecular weight of 309.50 g/mol, XLogP of 4.44, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-imino-4-methyl-1-(methylideneamino)pentan-2-yl]-7,8-dimethylnonanamide is sourced from PubChem (CID 91416111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).