N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine

C18H38N2 — CID 63494021

IUPACN-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCCC1CCN(CC(C)(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C18H38N2/c1-7-9-16-10-12-20(13-11-16)15-18(6,8-2)14-19-17(3,4)5/h16,19H,7-15H2,1-6H3
InChIKeyZBGSLRROSOWILL-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds7

About N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine

N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine (PubChem CID 63494021) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
PubChem CID63494021
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCCC1CCN(CC(C)(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C18H38N2/c1-7-9-16-10-12-20(13-11-16)15-18(6,8-2)14-19-17(3,4)5/h16,19H,7-15H2,1-6H3
InChIKeyZBGSLRROSOWILL-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 62258109
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62259874
N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
N-[2,2-dimethyl-3-(4-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 62257753
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
2-methyl-1-(4-propylpiperidin-1-yl)pentan-2-amine
CID 62204904
N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
CID 79184023

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine (CID 63494021) is N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine is CCCC1CCN(CC(C)(CC)CNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine?
The InChIKey is ZBGSLRROSOWILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-9-16-10-12-20(13-11-16)15-18(6,8-2)14-19-17(3,4)5/h16,19H,7-15H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine?
N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 63494021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).