3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine

C17H36N2 — CID 63468032

IUPAC3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-9-15(18-6)16(8-2)19-12-10-14(11-13-19)17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyQRGPPTBQEJDTDJ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

About 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine

3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine (PubChem CID 63468032) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine
PubChem CID63468032
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-9-15(18-6)16(8-2)19-12-10-14(11-13-19)17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyQRGPPTBQEJDTDJ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylazepan-1-yl)-N-methylheptan-4-amine
CID 65281323
N-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)heptan-4-amine
CID 81199005
N-tert-butyl-2-(4-tert-butylpiperidin-1-yl)pentan-1-amine
CID 83042494
3-amino-2-(4-tert-butylpiperidin-1-yl)pentan-1-ol
CID 104840411
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62413694
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
CID 62569931
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
2-(4-tert-butylpiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 55194853
1-(4-tert-butylpiperidin-1-yl)pentan-2-ol
CID 62090229
3-(4-tert-butylpiperidin-1-yl)pentanoic acid
CID 63067950
3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol
CID 64898727

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine (CID 63468032) is 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine is CCCC(NC)C(CC)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine?
The InChIKey is QRGPPTBQEJDTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-9-15(18-6)16(8-2)19-12-10-14(11-13-19)17(3,4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine?
3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-N-methylheptan-4-amine is sourced from PubChem (CID 63468032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).