5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine

C16H34N2 — CID 113497212

IUPAC5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
SMILESCCCC1CCCCN1CCC(N)CC(C)(C)C
InChIInChI=1S/C16H34N2/c1-5-8-15-9-6-7-11-18(15)12-10-14(17)13-16(2,3)4/h14-15H,5-13,17H2,1-4H3
InChIKeyAKERDWUERMMLIC-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.79
Rot. Bonds6

About 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine

5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine (PubChem CID 113497212) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
PubChem CID113497212
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
SMILESCCCC1CCCCN1CCC(N)CC(C)(C)C
InChIInChI=1S/C16H34N2/c1-5-8-15-9-6-7-11-18(15)12-10-14(17)13-16(2,3)4/h14-15H,5-13,17H2,1-4H3
InChIKeyAKERDWUERMMLIC-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
2-ethoxy-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83052818
2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide
CID 83056160
1-but-3-ynyl-2-propylpiperidine
CID 83061576
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
1-pentyl-2-propylpiperidine
CID 54429991
1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine
CID 114087088
2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83056263
1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
1-(1-ethylpiperidin-2-yl)pentan-3-amine
CID 83982198
3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
CID 83061736

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine?
The IUPAC name of 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine (CID 113497212) is 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine is CCCC1CCCCN1CCC(N)CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine?
The InChIKey is AKERDWUERMMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-8-15-9-6-7-11-18(15)12-10-14(17)13-16(2,3)4/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine?
5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine is sourced from PubChem (CID 113497212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).