N-(6-chlorohexyl)-2-methylbutanamide

C11H22ClNO — CID 107846649

IUPACN-(6-chlorohexyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCCCl
InChIInChI=1S/C11H22ClNO/c1-3-10(2)11(14)13-9-7-5-4-6-8-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyLDQUOBSCTYYVJS-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.95
Rot. Bonds8

About N-(6-chlorohexyl)-2-methylbutanamide

N-(6-chlorohexyl)-2-methylbutanamide (PubChem CID 107846649) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(6-chlorohexyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-2-methylbutanamide
PubChem CID107846649
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(6-chlorohexyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCCCl
InChIInChI=1S/C11H22ClNO/c1-3-10(2)11(14)13-9-7-5-4-6-8-12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyLDQUOBSCTYYVJS-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-2-methylbutanamide
CID 107321428
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
CID 166111944
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
2-methyl-N-nonyldecanamide
CID 141429494
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
5-chloro-N-nonylpentanamide
CID 91692760

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-2-methylbutanamide?
The IUPAC name of N-(6-chlorohexyl)-2-methylbutanamide (CID 107846649) is N-(6-chlorohexyl)-2-methylbutanamide.
What is the SMILES notation for N-(6-chlorohexyl)-2-methylbutanamide?
The canonical SMILES for N-(6-chlorohexyl)-2-methylbutanamide is CCC(C)C(=O)NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-2-methylbutanamide?
The InChIKey is LDQUOBSCTYYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-10(2)11(14)13-9-7-5-4-6-8-12/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(6-chlorohexyl)-2-methylbutanamide?
N-(6-chlorohexyl)-2-methylbutanamide has a molecular weight of 219.76 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-2-methylbutanamide is sourced from PubChem (CID 107846649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).