2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine

C17H34N2O — CID 79051831

IUPAC2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCOC1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-4-10-18-16(15-9-13-20-14-15)17(2,3)19-11-7-5-6-8-12-19/h15-16,18H,4-14H2,1-3H3
InChIKeyVUIGYQRUPYAHNA-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds6

About 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine

2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine (PubChem CID 79051831) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
PubChem CID79051831
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCOC1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H34N2O/c1-4-10-18-16(15-9-13-20-14-15)17(2,3)19-11-7-5-6-8-12-19/h15-16,18H,4-14H2,1-3H3
InChIKeyVUIGYQRUPYAHNA-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(oxan-3-yl)-2-piperidin-1-yl-N-propylpropan-1-amine
CID 107136554
2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
CID 115856711
2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine
CID 79051479
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
N-ethyl-2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056243
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 79057766
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
1-cyclopentyl-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79052377
N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 107136588
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylpropan-1-amine
CID 79045089

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine (CID 79051831) is 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine is CCCNC(C1CCOC1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine?
The InChIKey is VUIGYQRUPYAHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-10-18-16(15-9-13-20-14-15)17(2,3)19-11-7-5-6-8-12-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine?
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79051831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).