4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol

C15H30N2O2 — CID 79125941

IUPAC4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C2(CN)CCOCC2)CC1
InChIInChI=1S/C15H30N2O2/c1-2-8-17-9-3-4-15(18,5-10-17)14(13-16)6-11-19-12-7-14/h18H,2-13,16H2,1H3
InChIKeyLLGIEKDUDKTOAA-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.37
Rot. Bonds4

About 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol

4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol (PubChem CID 79125941) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
PubChem CID79125941
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C2(CN)CCOCC2)CC1
InChIInChI=1S/C15H30N2O2/c1-2-8-17-9-3-4-15(18,5-10-17)14(13-16)6-11-19-12-7-14/h18H,2-13,16H2,1H3
InChIKeyLLGIEKDUDKTOAA-UHFFFAOYSA-N
XLogP1.37
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(aminomethyl)-4-methylcyclohexyl]-1-propylazepan-4-ol
CID 79125588
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
CID 79124838
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylpiperidin-4-ol
CID 79135208
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
4-[3-(aminomethyl)oxolan-3-yl]-1-methylazepan-4-ol
CID 79126100
4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
CID 79123962
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
3-[4-(aminomethyl)oxan-4-yl]oxan-3-ol
CID 79125192
4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
CID 103715931
3-(4-hydroxy-1-propylazepan-4-yl)oxane-3-carbonitrile
CID 103715854

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol?
The IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol (CID 79125941) is 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol.
What is the SMILES notation for 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol?
The canonical SMILES for 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol is CCCN1CCCC(O)(C2(CN)CCOCC2)CC1.
What is the InChIKey of 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol?
The InChIKey is LLGIEKDUDKTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-8-17-9-3-4-15(18,5-10-17)14(13-16)6-11-19-12-7-14/h18H,2-13,16H2,1H3.
What are the key properties of 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol?
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol has a molecular weight of 270.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol is sourced from PubChem (CID 79125941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).