5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine

C17H36N2O — CID 62558297

IUPAC5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
SMILESCCCOC1CCCN(CCNC(C)CCC(C)C)C1
InChIInChI=1S/C17H36N2O/c1-5-13-20-17-7-6-11-19(14-17)12-10-18-16(4)9-8-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyXUHGTTAGNDUGPU-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds10

About 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine

5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine (PubChem CID 62558297) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
PubChem CID62558297
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
SMILESCCCOC1CCCN(CCNC(C)CCC(C)C)C1
InChIInChI=1S/C17H36N2O/c1-5-13-20-17-7-6-11-19(14-17)12-10-18-16(4)9-8-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyXUHGTTAGNDUGPU-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
CID 62559487
3-propan-2-yloxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]propan-1-amine
CID 62558812
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 62624096
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pentan-2-amine
CID 103540061
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
CID 63054326
N-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]pentan-2-amine
CID 63151207

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine (CID 62558297) is 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine is CCCOC1CCCN(CCNC(C)CCC(C)C)C1.
What is the InChIKey of 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine?
The InChIKey is XUHGTTAGNDUGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-13-20-17-7-6-11-19(14-17)12-10-18-16(4)9-8-15(2)3/h15-18H,5-14H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine?
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 62558297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).