N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine

C12H26N2 — CID 60693743

IUPACN-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)7-8-13-11-5-9-14(4)10-6-11/h11,13H,5-10H2,1-4H3
InChIKeyXSFKURZAYXLAHY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds3

About N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine

N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine (PubChem CID 60693743) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
PubChem CID60693743
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCC(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)7-8-13-11-5-9-14(4)10-6-11/h11,13H,5-10H2,1-4H3
InChIKeyXSFKURZAYXLAHY-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
CID 81332844
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
1-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]cyclobutane-1,3-diamine
CID 170106320
2-[2-[(1-methylpiperidin-4-yl)amino]ethylamino]ethanol
CID 167265274
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
CID 115255442
1-methyl-N-(3-piperazin-1-ylpropyl)piperidin-4-amine
CID 115230482
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine (CID 60693743) is N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine is CN1CCC(NCCC(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine?
The InChIKey is XSFKURZAYXLAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)7-8-13-11-5-9-14(4)10-6-11/h11,13H,5-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine?
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 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-methylpiperidin-4-amine is sourced from PubChem (CID 60693743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).