5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine

C18H37NO2 — CID 116726030

IUPAC5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCCC1CCCO1)C(OCC)C(C)(C)C
InChIInChI=1S/C18H37NO2/c1-6-13-19-16(17(20-7-2)18(3,4)5)12-8-10-15-11-9-14-21-15/h15-17,19H,6-14H2,1-5H3
InChIKeyCWIDYHYWQDZXNP-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.16
Rot. Bonds10

About 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine

5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine (PubChem CID 116726030) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
PubChem CID116726030
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCCC1CCCO1)C(OCC)C(C)(C)C
InChIInChI=1S/C18H37NO2/c1-6-13-19-16(17(20-7-2)18(3,4)5)12-8-10-15-11-9-14-21-15/h15-17,19H,6-14H2,1-5H3
InChIKeyCWIDYHYWQDZXNP-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105246420
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
[1-cyclopropyl-1-ethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105273156
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine?
The IUPAC name of 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine (CID 116726030) is 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine?
The canonical SMILES for 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine is CCCNC(CCCC1CCCO1)C(OCC)C(C)(C)C.
What is the InChIKey of 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine?
The InChIKey is CWIDYHYWQDZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-6-13-19-16(17(20-7-2)18(3,4)5)12-8-10-15-11-9-14-21-15/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine?
5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine has a molecular weight of 299.50 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine is sourced from PubChem (CID 116726030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).