6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine

C17H36N2 — CID 106799710

IUPAC6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-16(18-7-2)9-8-12-19-13-10-15(11-14-19)17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyBMFMERMNLLEVRF-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine

6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine (PubChem CID 106799710) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine
PubChem CID106799710
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-16(18-7-2)9-8-12-19-13-10-15(11-14-19)17(3,4)5/h15-16,18H,6-14H2,1-5H3
InChIKeyBMFMERMNLLEVRF-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine
CID 106799572
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
CID 113417223
N-[3-(4-tert-butylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 62091294
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-3-methylbutan-2-amine
CID 55089717
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
N-ethyl-5-(4-propylpiperidin-1-yl)pentan-2-amine
CID 55050463
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclopentyl-N-ethylethanamine
CID 104746978
5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 113418984
CID 174080990
CID 174080990

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine?
The IUPAC name of 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine (CID 106799710) is 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine is CCNC(CC)CCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine?
The InChIKey is BMFMERMNLLEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-16(18-7-2)9-8-12-19-13-10-15(11-14-19)17(3,4)5/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine?
6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine is sourced from PubChem (CID 106799710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).