N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine

C13H28N2 — CID 115719082

IUPACN-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC(C)C(C)(C)C)CCN1C
InChIInChI=1S/C13H28N2/c1-10-9-12(7-8-15(10)6)14-11(2)13(3,4)5/h10-12,14H,7-9H2,1-6H3
InChIKeyXZIQPSYCMVVNCT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds2

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

N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine (PubChem CID 115719082) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine
PubChem CID115719082
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NC(C)C(C)(C)C)CCN1C
InChIInChI=1S/C13H28N2/c1-10-9-12(7-8-15(10)6)14-11(2)13(3,4)5/h10-12,14H,7-9H2,1-6H3
InChIKeyXZIQPSYCMVVNCT-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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,N-Dimethylpiperidin-4-amine
CID 417391
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Methyl-4-(methylamino)piperidine
CID 566323
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
N,N-diethylpiperidin-4-amine
CID 2758239
N-(Propan-2-yl)piperidin-4-amine
CID 22394351
N,N-dimethyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
CID 3018747
3-(2-Ethylpiperidin-1-yl)propan-1-amine
CID 4117479
N,N-dipropylpiperidin-4-amine
CID 3824021
2-[1-(2-Methylpropyl)piperidin-2-yl]ethan-1-amine
CID 45791072
1,3,3-Trimethylpiperidin-4-amine
CID 68271528

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine (CID 115719082) is N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine is CC1CC(NC(C)C(C)(C)C)CCN1C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine?
The InChIKey is XZIQPSYCMVVNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10-9-12(7-8-15(10)6)14-11(2)13(3,4)5/h10-12,14H,7-9H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine?
N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 115719082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).