5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine

C17H34N2O — CID 79065672

IUPAC5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine
SMILESCCC(C)(C(N)CCCC1CCCO1)N1CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-17(2,19-12-5-4-6-13-19)16(18)11-7-9-15-10-8-14-20-15/h15-16H,3-14,18H2,1-2H3
InChIKeyZPPVDMXANFGUTQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.32
Rot. Bonds7

About 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine

5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine (PubChem CID 79065672) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine.

Molecular Properties

Compound Name5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine
PubChem CID79065672
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine
SMILESCCC(C)(C(N)CCCC1CCCO1)N1CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-17(2,19-12-5-4-6-13-19)16(18)11-7-9-15-10-8-14-20-15/h15-16H,3-14,18H2,1-2H3
InChIKeyZPPVDMXANFGUTQ-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(oxolan-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 79044940
[5-methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105241542
5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine
CID 116757408
4-(azepan-1-yl)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79051804
1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
4-(azepan-1-yl)-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 79050801
3-methyl-3-morpholin-4-ylnonan-4-amine
CID 79065779
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine?
The IUPAC name of 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine (CID 79065672) is 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine.
What is the SMILES notation for 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine?
The canonical SMILES for 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine is CCC(C)(C(N)CCCC1CCCO1)N1CCCCC1.
What is the InChIKey of 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine?
The InChIKey is ZPPVDMXANFGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-17(2,19-12-5-4-6-13-19)16(18)11-7-9-15-10-8-14-20-15/h15-16H,3-14,18H2,1-2H3.
What are the key properties of 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine?
5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine has a molecular weight of 282.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-2-yl)-5-piperidin-1-ylheptan-4-amine is sourced from PubChem (CID 79065672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).