N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine

C17H36N2 — CID 83061844

IUPACN-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCCCN1CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C17H36N2/c1-7-10-15-11-8-9-12-19(15)14-17(5,6)13-18-16(2,3)4/h15,18H,7-14H2,1-6H3
InChIKeyVDBBAYMDVQCLTN-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds6

About N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine

N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine (PubChem CID 83061844) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
PubChem CID83061844
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCCCN1CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C17H36N2/c1-7-10-15-11-8-9-12-19(15)14-17(5,6)13-18-16(2,3)4/h15,18H,7-14H2,1-6H3
InChIKeyVDBBAYMDVQCLTN-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425
N-tert-butyl-2-methyl-2-[(2-propylpiperidin-1-yl)methyl]pentan-1-amine
CID 83046317
N-tert-butyl-3-(2-ethylpyrrolidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62278344
2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83056263
2-methyl-2-[(2-propylpiperidin-1-yl)methyl]butan-1-amine
CID 83055635
3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
CID 83061736
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83046678
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
CID 55076512
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
1-amino-2-cyclopropyl-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83057453

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine (CID 83061844) is N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine is CCCC1CCCCN1CC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
The InChIKey is VDBBAYMDVQCLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-10-15-11-8-9-12-19(15)14-17(5,6)13-18-16(2,3)4/h15,18H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine?
N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 83061844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).