2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide

C13H26N2O — CID 18464100

IUPAC2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCNCCC
InChIInChI=1S/C13H26N2O/c1-4-9-14-10-7-5-6-8-11-15-13(16)12(2)3/h14H,2,4-11H2,1,3H3,(H,15,16)
InChIKeyQXCUZHUGLQRAOK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds10

About 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide

2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide (PubChem CID 18464100) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
PubChem CID18464100
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCNCCC
InChIInChI=1S/C13H26N2O/c1-4-9-14-10-7-5-6-8-11-15-13(16)12(2)3/h14H,2,4-11H2,1,3H3,(H,15,16)
InChIKeyQXCUZHUGLQRAOK-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.24
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

2-methyl-N-[3-(pentylamino)propyl]prop-2-enamide
CID 87504173
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
11-(2-methylprop-2-enoylamino)undecylphosphonic acid
CID 102486312
10-(2-methylprop-2-enoylamino)decylphosphonic acid
CID 18935053
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
N-[10-(dihydroxyphosphinothioylamino)decyl]-2-methylprop-2-enamide
CID 20684941
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide (CID 18464100) is 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide is C=C(C)C(=O)NCCCCCCNCCC.
What is the InChIKey of 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide?
The InChIKey is QXCUZHUGLQRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-9-14-10-7-5-6-8-11-15-13(16)12(2)3/h14H,2,4-11H2,1,3H3,(H,15,16).
What are the key properties of 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide?
2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(propylamino)hexyl]prop-2-enamide is sourced from PubChem (CID 18464100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).