1-hexan-3-yl-N,N-dimethylpiperidin-3-amine

C13H28N2 — CID 143456781

IUPAC1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
SMILESCCCC(CC)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-8-12(6-2)15-10-7-9-13(11-15)14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyINGAYFFWMHIHEO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds5

About 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine

1-hexan-3-yl-N,N-dimethylpiperidin-3-amine (PubChem CID 143456781) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
PubChem CID143456781
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
SMILESCCCC(CC)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N2/c1-5-8-12(6-2)15-10-7-9-13(11-15)14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyINGAYFFWMHIHEO-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
1-(1-amino-3-methoxypropan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 103226846
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
CID 66426952
3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
CID 63163878
1-[1-(tert-butylamino)-3-methoxypropan-2-yl]-N,N-dimethylpiperidin-3-amine
CID 103226843
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
1-heptan-4-yl-N,N-dimethylpiperidine-3-carboxamide
CID 174980443
1-(1-amino-4-methylpentan-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166510
1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
(3R)-N-ethyl-N-methyl-1-propan-2-ylpiperidin-3-amine
CID 164856684
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine (CID 143456781) is 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine is CCCC(CC)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine?
The InChIKey is INGAYFFWMHIHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-12(6-2)15-10-7-9-13(11-15)14(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine?
1-hexan-3-yl-N,N-dimethylpiperidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 143456781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).