N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide

C14H28N2O — CID 142235981

IUPACN-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(C)CC(C)(C)CCNC
InChIInChI=1S/C14H28N2O/c1-7-13(17)16(6)11-12(2)10-14(3,4)8-9-15-5/h7,12,15H,1,8-11H2,2-6H3
InChIKeyIGMLQDBQKIUMAV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.29
Rot. Bonds8

About N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide

N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide (PubChem CID 142235981) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide
PubChem CID142235981
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(C)CC(C)(C)CCNC
InChIInChI=1S/C14H28N2O/c1-7-13(17)16(6)11-12(2)10-14(3,4)8-9-15-5/h7,12,15H,1,8-11H2,2-6H3
InChIKeyIGMLQDBQKIUMAV-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide
CID 146260613
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
CID 166807925
N,3,3-trimethyl-5-methylidenehept-6-en-1-amine
CID 155576412
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
CID 171093206
azane;1-[methyl(prop-2-enoyl)amino]propane-2-sulfonic acid
CID 87438515
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N,3,3,5,5,8-hexamethylnonan-1-amine
CID 146573575
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278
2-[[3,3,5-trimethyl-6-[(2-methyl-2-propan-2-yloxypropanoyl)amino]hexyl]carbamoyloxy]ethyl prop-2-enoate
CID 156874776

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide (CID 142235981) is N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide is C=CC(=O)N(C)CC(C)CC(C)(C)CCNC.
What is the InChIKey of N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide?
The InChIKey is IGMLQDBQKIUMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-13(17)16(6)11-12(2)10-14(3,4)8-9-15-5/h7,12,15H,1,8-11H2,2-6H3.
What are the key properties of N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide?
N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2,4,4-trimethyl-6-(methylamino)hexyl]prop-2-enamide is sourced from PubChem (CID 142235981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).