N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine

C16H34N2 — CID 62569931

IUPACN-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-13(2)17-12-14(3)18-10-8-15(9-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyLGVNQOVCIVJSIX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine

N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine (PubChem CID 62569931) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
PubChem CID62569931
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-7-13(2)17-12-14(3)18-10-8-15(9-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyLGVNQOVCIVJSIX-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
CID 63503555
2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 55194853
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62413694
3-(4-tert-butylpiperidin-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81012728
4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine
CID 113417228
4-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 62411940
1-[4-(4-tert-butylpiperidin-1-yl)-2-methylpentan-2-yl]-4-methylpiperazine
CID 129100136
N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503231
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
N-propan-2-yl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 62439844
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine?
The IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine (CID 62569931) is N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine?
The canonical SMILES for N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine is CCC(C)NCC(C)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine?
The InChIKey is LGVNQOVCIVJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-13(2)17-12-14(3)18-10-8-15(9-11-18)16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine?
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine is sourced from PubChem (CID 62569931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).