N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine

C13H28N2 — CID 81332844

IUPACN-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCC(C)(C)C)CCN1C
InChIInChI=1S/C13H28N2/c1-11-10-12(6-9-15(11)5)14-8-7-13(2,3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyFBQZSTGRTXPTSI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds3

About N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine

N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine (PubChem CID 81332844) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
PubChem CID81332844
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCCC(C)(C)C)CCN1C
InChIInChI=1S/C13H28N2/c1-11-10-12(6-9-15(11)5)14-8-7-13(2,3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyFBQZSTGRTXPTSI-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
1,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 103783176
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
CID 107094111
1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 81302152
N-[3-(cyclopropylmethoxy)propyl]-1,2-dimethylpiperidin-4-amine
CID 81301163
ethane;N,1,2-trimethylpiperidin-4-amine
CID 178011529
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
3-[(1,2-dimethylpiperidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104860685

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine (CID 81332844) is N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine is CC1CC(NCCC(C)(C)C)CCN1C.
What is the InChIKey of N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is FBQZSTGRTXPTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11-10-12(6-9-15(11)5)14-8-7-13(2,3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine?
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81332844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).