N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine

C13H28N2O — CID 107505756

IUPACN-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine
SMILESCCNC(COC)CN1CCCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-14-13(11-16-3)10-15-8-5-6-12(2)7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyOAGBFJRPSBCKBS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine

N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine (PubChem CID 107505756) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine
PubChem CID107505756
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine
SMILESCCNC(COC)CN1CCCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-4-14-13(11-16-3)10-15-8-5-6-12(2)7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyOAGBFJRPSBCKBS-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methoxy-3-(4-methylpiperidin-1-yl)propan-2-amine
CID 107505226
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
N-ethyl-1-methoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-amine
CID 107505935
N-ethyl-1-(3-methylpiperidin-1-yl)pentan-2-amine
CID 62041614
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746
N-ethyl-1-methoxy-3-(2-methylpiperidin-1-yl)propan-2-amine
CID 107505238
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505868
N-ethyl-1-(3-methylpyrrolidin-1-yl)pentan-2-amine
CID 62044690
(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine (CID 107505756) is N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine is CCNC(COC)CN1CCCC(C)CC1.
What is the InChIKey of N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine?
The InChIKey is OAGBFJRPSBCKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-14-13(11-16-3)10-15-8-5-6-12(2)7-9-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine?
N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine is sourced from PubChem (CID 107505756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).