4,4-dimethyl-1-piperidin-1-ylpentan-2-amine

C12H26N2 — CID 117241671

IUPAC4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
SMILESCC(C)(C)CC(N)CN1CCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,3)9-11(13)10-14-7-5-4-6-8-14/h11H,4-10,13H2,1-3H3
InChIKeyMWDIHVQLSPQOAY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds3

About 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine

4,4-dimethyl-1-piperidin-1-ylpentan-2-amine (PubChem CID 117241671) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
PubChem CID117241671
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
SMILESCC(C)(C)CC(N)CN1CCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,3)9-11(13)10-14-7-5-4-6-8-14/h11H,4-10,13H2,1-3H3
InChIKeyMWDIHVQLSPQOAY-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-1-ylpentan-2-amine
CID 43650435
methyl 4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoate
CID 117242052
4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 107474872
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine
CID 117242326
1-cyclopropyl-3-piperidin-1-ylpropan-2-amine
CID 82407506
(2R)-1-(azetidin-1-yl)-4-methylpentan-2-amine
CID 130547403
1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
methyl 2-amino-3-piperidin-1-ylpropanoate
CID 10988984
5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine
CID 113497185
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine?
The IUPAC name of 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine (CID 117241671) is 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine?
The canonical SMILES for 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine is CC(C)(C)CC(N)CN1CCCCC1.
What is the InChIKey of 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine?
The InChIKey is MWDIHVQLSPQOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)9-11(13)10-14-7-5-4-6-8-14/h11H,4-10,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine?
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-piperidin-1-ylpentan-2-amine is sourced from PubChem (CID 117241671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).