N-(8-aminooctyl)-2-methylprop-2-enamide

C12H24N2O — CID 86094836

IUPACN-(8-aminooctyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCN
InChIInChI=1S/C12H24N2O/c1-11(2)12(15)14-10-8-6-4-3-5-7-9-13/h1,3-10,13H2,2H3,(H,14,15)
InChIKeyDGXUSAVJFPALDH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.98
Rot. Bonds9

About N-(8-aminooctyl)-2-methylprop-2-enamide

N-(8-aminooctyl)-2-methylprop-2-enamide (PubChem CID 86094836) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(8-aminooctyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(8-aminooctyl)-2-methylprop-2-enamide
PubChem CID86094836
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(8-aminooctyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCCCN
InChIInChI=1S/C12H24N2O/c1-11(2)12(15)14-10-8-6-4-3-5-7-9-13/h1,3-10,13H2,2H3,(H,14,15)
InChIKeyDGXUSAVJFPALDH-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(4-aminobutyl)-2-methylprop-2-enamide;phosphoric acid
CID 88539843
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
N-[8-[hydroxy(dimethyl)silyl]octyl]-2-methylprop-2-enamide
CID 162481107
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
CID 18464100
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
6-amino-2-[[6-amino-2-(2-methylprop-2-enoylamino)hexanoyl]amino]-N-[1-amino-6-(2-methylprop-2-enoylamino)-1-oxohexan-2-yl]hexanamide
CID 88854923
10-(2-methylprop-2-enoylamino)decylphosphonic acid
CID 18935053

Frequently Asked Questions

What is the IUPAC name of N-(8-aminooctyl)-2-methylprop-2-enamide?
The IUPAC name of N-(8-aminooctyl)-2-methylprop-2-enamide (CID 86094836) is N-(8-aminooctyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(8-aminooctyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(8-aminooctyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCCCCN.
What is the InChIKey of N-(8-aminooctyl)-2-methylprop-2-enamide?
The InChIKey is DGXUSAVJFPALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)12(15)14-10-8-6-4-3-5-7-9-13/h1,3-10,13H2,2H3,(H,14,15).
What are the key properties of N-(8-aminooctyl)-2-methylprop-2-enamide?
N-(8-aminooctyl)-2-methylprop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminooctyl)-2-methylprop-2-enamide is sourced from PubChem (CID 86094836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).