N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide

C14H28N2O — CID 88853060

IUPACN-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CN)(CCCC)CCCC
InChIInChI=1S/C14H28N2O/c1-5-7-9-14(11-15,10-8-6-2)16-13(17)12(3)4/h3,5-11,15H2,1-2,4H3,(H,16,17)
InChIKeyRSGJDFYJUYVUSU-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.76
Rot. Bonds9

About N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide

N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide (PubChem CID 88853060) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide
PubChem CID88853060
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CN)(CCCC)CCCC
InChIInChI=1S/C14H28N2O/c1-5-7-9-14(11-15,10-8-6-2)16-13(17)12(3)4/h3,5-11,15H2,1-2,4H3,(H,16,17)
InChIKeyRSGJDFYJUYVUSU-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
N-(2,2-dimethylhexyl)-2-methylprop-2-enamide
CID 129167634
[2-(2-methylprop-2-enoylamino)-2-(2-methylprop-2-enoyloxymethyl)butyl] 2-methylprop-2-enoate
CID 154599042
N-(3-ethyl-1-oxopentan-3-yl)-2-methylprop-2-enamide;hydrochloride
CID 173326551
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
(3S)-3-(aminomethyl)-3-methylheptanoic acid
CID 102044731
2-butyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 162113428
acetic acid;N-[2-(dimethylamino)-1-hydroxypentan-2-yl]-2-methylprop-2-enamide
CID 173428531
butyl 4-(2-methylprop-2-enoylamino)benzoate
CID 46708094
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide (CID 88853060) is N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CN)(CCCC)CCCC.
What is the InChIKey of N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide?
The InChIKey is RSGJDFYJUYVUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-7-9-14(11-15,10-8-6-2)16-13(17)12(3)4/h3,5-11,15H2,1-2,4H3,(H,16,17).
What are the key properties of N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide?
N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)nonan-5-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 88853060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).