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

C12H24N2O2 — CID 103904879

IUPAC3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
SMILESCN1CCCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C12H24N2O2/c1-14-6-2-3-11(4-7-14)13-9-12(15)5-8-16-10-12/h11,13,15H,2-10H2,1H3
InChIKeyUJRSDFVUDPPATM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.21
Rot. Bonds3

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

3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 103904879) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
PubChem CID103904879
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
SMILESCN1CCCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C12H24N2O2/c1-14-6-2-3-11(4-7-14)13-9-12(15)5-8-16-10-12/h11,13,15H,2-10H2,1H3
InChIKeyUJRSDFVUDPPATM-UHFFFAOYSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
3-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]oxolan-3-ol
CID 113349162
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide
CID 113349181
2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 107270657
3-[[(4-tert-butylcyclohexyl)amino]methyl]oxolan-3-ol
CID 103848335
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
CID 103903498
3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
CID 103904817
(3R)-3-[[[(1S)-2,2-dimethylcyclopentyl]amino]methyl]oxolan-3-ol
CID 97108283
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 106100320

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol (CID 103904879) is 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol is CN1CCCC(NCC2(O)CCOC2)CC1.
What is the InChIKey of 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is UJRSDFVUDPPATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14-6-2-3-11(4-7-14)13-9-12(15)5-8-16-10-12/h11,13,15H,2-10H2,1H3.
What are the key properties of 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol?
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 228.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).