2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide

C15H31N3O — CID 63158997

IUPAC2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
SMILESCCC1(C)CCN(CCCCC(C)(N)C(N)=O)CC1
InChIInChI=1S/C15H31N3O/c1-4-14(2)8-11-18(12-9-14)10-6-5-7-15(3,17)13(16)19/h4-12,17H2,1-3H3,(H2,16,19)
InChIKeyUTGVBFHSWKZWJN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.87
Rot. Bonds7

About 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide

2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide (PubChem CID 63158997) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide.

Molecular Properties

Compound Name2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
PubChem CID63158997
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
SMILESCCC1(C)CCN(CCCCC(C)(N)C(N)=O)CC1
InChIInChI=1S/C15H31N3O/c1-4-14(2)8-11-18(12-9-14)10-6-5-7-15(3,17)13(16)19/h4-12,17H2,1-3H3,(H2,16,19)
InChIKeyUTGVBFHSWKZWJN-UHFFFAOYSA-N
XLogP1.87
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 63159036
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 63159082
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
5-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
CID 63157135
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818942
2-amino-2-methyltetradecanamide
CID 175155192
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
CID 65281853
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63158993

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide?
The IUPAC name of 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide (CID 63158997) is 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide.
What is the SMILES notation for 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide?
The canonical SMILES for 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide is CCC1(C)CCN(CCCCC(C)(N)C(N)=O)CC1.
What is the InChIKey of 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide?
The InChIKey is UTGVBFHSWKZWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-14(2)8-11-18(12-9-14)10-6-5-7-15(3,17)13(16)19/h4-12,17H2,1-3H3,(H2,16,19).
What are the key properties of 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide?
2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide has a molecular weight of 269.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide is sourced from PubChem (CID 63158997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).