N-methyl-1-(1-methylazepan-3-yl)ethanamine

C10H22N2 — CID 83905848

IUPACN-methyl-1-(1-methylazepan-3-yl)ethanamine
SMILESCNC(C)C1CCCCN(C)C1
InChIInChI=1S/C10H22N2/c1-9(11-2)10-6-4-5-7-12(3)8-10/h9-11H,4-8H2,1-3H3
InChIKeyCSTDDFKFFZOEMR-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds2

About N-methyl-1-(1-methylazepan-3-yl)ethanamine

N-methyl-1-(1-methylazepan-3-yl)ethanamine (PubChem CID 83905848) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-methyl-1-(1-methylazepan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylazepan-3-yl)ethanamine
PubChem CID83905848
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-methyl-1-(1-methylazepan-3-yl)ethanamine
SMILESCNC(C)C1CCCCN(C)C1
InChIInChI=1S/C10H22N2/c1-9(11-2)10-6-4-5-7-12(3)8-10/h9-11H,4-8H2,1-3H3
InChIKeyCSTDDFKFFZOEMR-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
1-cyclopentyl-N-methylethanamine;ethane
CID 142106515
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
CID 116949940
CID 162293667
CID 162293667
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
1-N,2-N,2-trimethyl-1-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 116954118
3-(methylamino)-3-(1-methylpiperidin-3-yl)propane-1-thiol
CID 116831489

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylazepan-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methylazepan-3-yl)ethanamine (CID 83905848) is N-methyl-1-(1-methylazepan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylazepan-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylazepan-3-yl)ethanamine is CNC(C)C1CCCCN(C)C1.
What is the InChIKey of N-methyl-1-(1-methylazepan-3-yl)ethanamine?
The InChIKey is CSTDDFKFFZOEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(11-2)10-6-4-5-7-12(3)8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylazepan-3-yl)ethanamine?
N-methyl-1-(1-methylazepan-3-yl)ethanamine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylazepan-3-yl)ethanamine is sourced from PubChem (CID 83905848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).