4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol

C12H24N2O2 — CID 79126100

IUPAC4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C12H24N2O2/c1-14-6-2-3-12(15,4-7-14)11(9-13)5-8-16-10-11/h15H,2-10,13H2,1H3
InChIKeyUDWAVRDUJFFHLR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.20
Rot. Bonds2

About 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol

4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol (PubChem CID 79126100) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol.

Molecular Properties

Compound Name4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
PubChem CID79126100
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
SMILESCN1CCCC(O)(C2(CN)CCOC2)CC1
InChIInChI=1S/C12H24N2O2/c1-14-6-2-3-12(15,4-7-14)11(9-13)5-8-16-10-11/h15H,2-10,13H2,1H3
InChIKeyUDWAVRDUJFFHLR-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)oxan-3-yl]cyclopentan-1-ol
CID 103715907
1-[3-(aminomethyl)oxolan-3-yl]-2,2-dimethylcyclohexan-1-ol
CID 79852618
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
CID 79125941
4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
CID 103715931
4-[1-(aminomethyl)-4-tert-butylcyclohexyl]-1-methylazepan-4-ol
CID 79124808
8-[3-(aminomethyl)oxolan-3-yl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79124643
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
1-[3-(aminomethyl)oxolan-3-yl]-3-methoxycyclohexan-1-ol
CID 106874866
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol?
The IUPAC name of 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol (CID 79126100) is 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol.
What is the SMILES notation for 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol?
The canonical SMILES for 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol is CN1CCCC(O)(C2(CN)CCOC2)CC1.
What is the InChIKey of 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol?
The InChIKey is UDWAVRDUJFFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14-6-2-3-12(15,4-7-14)11(9-13)5-8-16-10-11/h15H,2-10,13H2,1H3.
What are the key properties of 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol?
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol has a molecular weight of 228.34 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol is sourced from PubChem (CID 79126100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).