N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine

C18H38N2 — CID 114596807

IUPACN-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCC(C)(CNC(C)(C)C)CN1CC(C)CC(C)C1C
InChIInChI=1S/C18H38N2/c1-9-18(8,12-19-17(5,6)7)13-20-11-14(2)10-15(3)16(20)4/h14-16,19H,9-13H2,1-8H3
InChIKeyDWIUXJYTGGVHKI-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds5

About N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine

N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine (PubChem CID 114596807) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine
PubChem CID114596807
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine
SMILESCCC(C)(CNC(C)(C)C)CN1CC(C)CC(C)C1C
InChIInChI=1S/C18H38N2/c1-9-18(8,12-19-17(5,6)7)13-20-11-14(2)10-15(3)16(20)4/h14-16,19H,9-13H2,1-8H3
InChIKeyDWIUXJYTGGVHKI-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
CID 114594601
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805
2-methyl-N-(2-methylpropyl)-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-1-amine
CID 114596717
N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
N-tert-butyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
CID 63483212
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057
1-[2-(bromomethyl)-2-propylpentyl]-2,3,5-trimethylpiperidine
CID 114594789
N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
CID 79184023
2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596342
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114597119

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine (CID 114596807) is N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine is CCC(C)(CNC(C)(C)C)CN1CC(C)CC(C)C1C.
What is the InChIKey of N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine?
The InChIKey is DWIUXJYTGGVHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-9-18(8,12-19-17(5,6)7)13-20-11-14(2)10-15(3)16(20)4/h14-16,19H,9-13H2,1-8H3.
What are the key properties of N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine?
N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 5 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-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 114596807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).