6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine

C17H35NO2 — CID 103032094

IUPAC6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
SMILESCCCNC(CCC1CCCCO1)CCC(C)(C)OC
InChIInChI=1S/C17H35NO2/c1-5-13-18-15(11-12-17(2,3)19-4)9-10-16-8-6-7-14-20-16/h15-16,18H,5-14H2,1-4H3
InChIKeyJVCQSYJCUOQUBB-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.91
Rot. Bonds10

About 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine

6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine (PubChem CID 103032094) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine.

Molecular Properties

Compound Name6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
PubChem CID103032094
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
SMILESCCCNC(CCC1CCCCO1)CCC(C)(C)OC
InChIInChI=1S/C17H35NO2/c1-5-13-18-15(11-12-17(2,3)19-4)9-10-16-8-6-7-14-20-16/h15-16,18H,5-14H2,1-4H3
InChIKeyJVCQSYJCUOQUBB-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084
1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960
1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105030163
5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine
CID 105004924
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine?
The IUPAC name of 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine (CID 103032094) is 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine.
What is the SMILES notation for 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine?
The canonical SMILES for 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine is CCCNC(CCC1CCCCO1)CCC(C)(C)OC.
What is the InChIKey of 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine?
The InChIKey is JVCQSYJCUOQUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-13-18-15(11-12-17(2,3)19-4)9-10-16-8-6-7-14-20-16/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine?
6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine has a molecular weight of 285.47 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine is sourced from PubChem (CID 103032094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).