3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine

C15H32N2 — CID 79408655

IUPAC3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-12(2)16-10-13(3)14(4)17-9-7-8-15(5,6)11-17/h12-14,16H,7-11H2,1-6H3
InChIKeyWQCRTYCGFSZUPO-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds5

About 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine

3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79408655) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79408655
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)N1CCCC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-12(2)16-10-13(3)14(4)17-9-7-8-15(5,6)11-17/h12-14,16H,7-11H2,1-6H3
InChIKeyWQCRTYCGFSZUPO-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine
CID 79408656
3-(2,2-dimethylmorpholin-4-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408711
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79409918
N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408659
N,N-dimethyl-1-[3-methyl-4-(propan-2-ylamino)butan-2-yl]piperidin-4-amine
CID 79409671
4-(3,3-dimethylpiperidin-1-yl)-N-ethylpentan-2-amine
CID 64708691
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
3,3-dimethyl-1-propan-2-ylazepane
CID 58110344
2-methyl-N-propan-2-yl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine
CID 79408416
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
3-amino-2-(3,3-dimethylpiperidin-1-yl)propan-1-ol
CID 104711025
N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103226698

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 79408655) is 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)C(C)N1CCCC(C)(C)C1.
What is the InChIKey of 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is WQCRTYCGFSZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)16-10-13(3)14(4)17-9-7-8-15(5,6)11-17/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79408655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).