2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen

C12H30N2O — CID 166111944

IUPAC2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
SMILESCCC(C)C(=O)NCCCCCCNC.[H][H].[H][H]
InChIInChI=1S/C12H26N2O.2H2/c1-4-11(2)12(15)14-10-8-6-5-7-9-13-3;;/h11,13H,4-10H2,1-3H3,(H,14,15);2*1H
InChIKeyVDOKMWOIDCFJGK-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.42
Rot. Bonds9

About 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen

2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen (PubChem CID 166111944) has the molecular formula C12H30N2O and a molecular weight of 218.39 g/mol. Its IUPAC name is 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
PubChem CID166111944
Molecular FormulaC12H30N2O
Molecular Weight218.39 g/mol
Exact Mass218.24
IUPAC Name2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
SMILESCCC(C)C(=O)NCCCCCCNC.[H][H].[H][H]
InChIInChI=1S/C12H26N2O.2H2/c1-4-11(2)12(15)14-10-8-6-5-7-9-13-3;;/h11,13H,4-10H2,1-3H3,(H,14,15);2*1H
InChIKeyVDOKMWOIDCFJGK-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
N-(6-chlorohexyl)-2-methylbutanamide
CID 107846649
N-(5-chloropentyl)-2-methylbutanamide
CID 107321428
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
CID 90364828
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
2-methyl-N-nonyldecanamide
CID 141429494
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen?
The IUPAC name of 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen (CID 166111944) is 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen is CCC(C)C(=O)NCCCCCCNC.[H][H].[H][H].
What is the InChIKey of 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen?
The InChIKey is VDOKMWOIDCFJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.2H2/c1-4-11(2)12(15)14-10-8-6-5-7-9-13-3;;/h11,13H,4-10H2,1-3H3,(H,14,15);2*1H.
What are the key properties of 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen?
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen has a molecular weight of 218.39 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen is sourced from PubChem (CID 166111944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).