6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one

C16H32N2O — CID 83053688

IUPAC6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one
SMILESCCCC1CCCCN1C(=O)C(C)CCCC(C)N
InChIInChI=1S/C16H32N2O/c1-4-8-15-11-5-6-12-18(15)16(19)13(2)9-7-10-14(3)17/h13-15H,4-12,17H2,1-3H3
InChIKeyNYHFGHZMTKNDFK-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.32
Rot. Bonds7

About 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one

6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one (PubChem CID 83053688) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one
PubChem CID83053688
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one
SMILESCCCC1CCCCN1C(=O)C(C)CCCC(C)N
InChIInChI=1S/C16H32N2O/c1-4-8-15-11-5-6-12-18(15)16(19)13(2)9-7-10-14(3)17/h13-15H,4-12,17H2,1-3H3
InChIKeyNYHFGHZMTKNDFK-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one 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

3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
(2S,3S)-2-amino-3-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
CID 83052045
1-[2-(2-chloroethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 63393873
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 65290967
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143
4-amino-1-[2-(3-methylbutyl)piperidin-1-yl]pentan-1-one
CID 120564107
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
1-(2-methylhexanoyl)azocane-2-carboxylic acid
CID 114246096
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one (CID 83053688) is 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one is CCCC1CCCCN1C(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one?
The InChIKey is NYHFGHZMTKNDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-8-15-11-5-6-12-18(15)16(19)13(2)9-7-10-14(3)17/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one?
6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-(2-propylpiperidin-1-yl)heptan-1-one is sourced from PubChem (CID 83053688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).