6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine

C16H33NO — CID 65162085

IUPAC6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
SMILESCCCNC(C)C(CCCC1CCCO1)C(C)C
InChIInChI=1S/C16H33NO/c1-5-11-17-14(4)16(13(2)3)10-6-8-15-9-7-12-18-15/h13-17H,5-12H2,1-4H3
InChIKeyWGSJPWJSVNYQQP-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds9

About 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine

6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine (PubChem CID 65162085) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
PubChem CID65162085
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
SMILESCCCNC(C)C(CCCC1CCCO1)C(C)C
InChIInChI=1S/C16H33NO/c1-5-11-17-14(4)16(13(2)3)10-6-8-15-9-7-12-18-15/h13-17H,5-12H2,1-4H3
InChIKeyWGSJPWJSVNYQQP-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
CID 116726030
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
2-(5-chloro-4-methylheptyl)oxolane
CID 65165898
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine?
The IUPAC name of 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine (CID 65162085) is 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine.
What is the SMILES notation for 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine?
The canonical SMILES for 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine is CCCNC(C)C(CCCC1CCCO1)C(C)C.
What is the InChIKey of 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine?
The InChIKey is WGSJPWJSVNYQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-11-17-14(4)16(13(2)3)10-6-8-15-9-7-12-18-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine?
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine is sourced from PubChem (CID 65162085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).