5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide

C13H28N2O — CID 82852575

IUPAC5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide
SMILESCC(C)CC(C)N(C)C(=O)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-10(2)9-12(4)15(5)13(16)8-6-7-11(3)14/h10-12H,6-9,14H2,1-5H3
InChIKeyIQSXHPSOSFSODA-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.40
Rot. Bonds7

About 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide

5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide (PubChem CID 82852575) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide
PubChem CID82852575
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide
SMILESCC(C)CC(C)N(C)C(=O)CCCC(C)N
InChIInChI=1S/C13H28N2O/c1-10(2)9-12(4)15(5)13(16)8-6-7-11(3)14/h10-12H,6-9,14H2,1-5H3
InChIKeyIQSXHPSOSFSODA-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-ethyl-N-methylhexanamide
CID 82848384
5-amino-N,N-diethylhexanamide
CID 82848451
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 81086981
5-amino-N-[2-(dimethylamino)ethyl]-N-methylhexanamide
CID 82852143
(5S)-5-aminohexanamide;hydrochloride
CID 174367343
5-amino-N-butyl-N-ethylhexanamide
CID 82848623
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
2-aminoundecan-6-one
CID 116610207
5-amino-N-methyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851778

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide?
The IUPAC name of 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide (CID 82852575) is 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide.
What is the SMILES notation for 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide?
The canonical SMILES for 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide is CC(C)CC(C)N(C)C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide?
The InChIKey is IQSXHPSOSFSODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)9-12(4)15(5)13(16)8-6-7-11(3)14/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide?
5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide has a molecular weight of 228.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide is sourced from PubChem (CID 82852575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).