1-(2-aminoethyl)-4-methylazepan-4-ol

C9H20N2O — CID 107403945

IUPAC1-(2-aminoethyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCN)CC1
InChIInChI=1S/C9H20N2O/c1-9(12)3-2-6-11(7-4-9)8-5-10/h12H,2-8,10H2,1H3
InChIKeyLWFCWVIXRHKOMK-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds2

About 1-(2-aminoethyl)-4-methylazepan-4-ol

1-(2-aminoethyl)-4-methylazepan-4-ol (PubChem CID 107403945) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-methylazepan-4-ol
PubChem CID107403945
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(2-aminoethyl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(CCN)CC1
InChIInChI=1S/C9H20N2O/c1-9(12)3-2-6-11(7-4-9)8-5-10/h12H,2-8,10H2,1H3
InChIKeyLWFCWVIXRHKOMK-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylazepan-4-ol hydrochloride
CID 66653249
4-Methylazepan-4-OL
CID 53393484
4-(2-Aminoethyl)-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83919438
1-(3-Amino-1,1,1-trifluoropentan-2-yl)-4-methylazepan-4-ol
CID 107403799
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
CID 107403813
1-(3-Amino-1,1,1-trifluorobutan-2-yl)-4-methylazepan-4-ol
CID 107403939
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-4-methylazepan-4-ol
CID 107403994
1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)azepan-4-ol
CID 112737664
1-[2-(Propylamino)ethyl]-4-(trifluoromethyl)azepan-4-ol
CID 112737761
1,4-Dimethylazepan-4-ol
CID 22967006
4-(Aminomethyl)-1-methylazepan-4-ol
CID 65074910
4-Ethyl-1-methylazepan-4-ol
CID 65075231

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-methylazepan-4-ol?
The IUPAC name of 1-(2-aminoethyl)-4-methylazepan-4-ol (CID 107403945) is 1-(2-aminoethyl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(2-aminoethyl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(2-aminoethyl)-4-methylazepan-4-ol is CC1(O)CCCN(CCN)CC1.
What is the InChIKey of 1-(2-aminoethyl)-4-methylazepan-4-ol?
The InChIKey is LWFCWVIXRHKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(12)3-2-6-11(7-4-9)8-5-10/h12H,2-8,10H2,1H3.
What are the key properties of 1-(2-aminoethyl)-4-methylazepan-4-ol?
1-(2-aminoethyl)-4-methylazepan-4-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-methylazepan-4-ol is sourced from PubChem (CID 107403945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).