N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine

C16H32N2O — CID 104746479

IUPACN-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
SMILESCNC(CN1CCCC(C(C)C)CC1)C1CCOC1
InChIInChI=1S/C16H32N2O/c1-13(2)14-5-4-8-18(9-6-14)11-16(17-3)15-7-10-19-12-15/h13-17H,4-12H2,1-3H3
InChIKeyGPJJNWGKEPWLJC-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine

N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine (PubChem CID 104746479) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
PubChem CID104746479
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
SMILESCNC(CN1CCCC(C(C)C)CC1)C1CCOC1
InChIInChI=1S/C16H32N2O/c1-13(2)14-5-4-8-18(9-6-14)11-16(17-3)15-7-10-19-12-15/h13-17H,4-12H2,1-3H3
InChIKeyGPJJNWGKEPWLJC-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propan-2-ylazepan-2-one
CID 104747789
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 102725921
2-(2-ethylpiperidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104744647
2-(3-ethylmorpholin-4-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113448072
N-methyl-2-(2-methylpiperidin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104744306
N-[2-(3-ethylpiperidin-1-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104744890
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104746111
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104746222
1-ethyl-4-[2-(methylamino)-2-(oxolan-3-yl)ethyl]piperazine-2,5-dione
CID 104747969
2-(4-ethylazepan-1-yl)-1-(oxolan-3-yl)ethanol
CID 104752932

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine (CID 104746479) is N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine is CNC(CN1CCCC(C(C)C)CC1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
The InChIKey is GPJJNWGKEPWLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)14-5-4-8-18(9-6-14)11-16(17-3)15-7-10-19-12-15/h13-17H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine has a molecular weight of 268.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine is sourced from PubChem (CID 104746479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).