3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol

C13H28N2O2 — CID 106811255

IUPAC3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)CC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-3-13(16,11-14)7-5-8-15(2)10-12-6-4-9-17-12/h12,16H,3-11,14H2,1-2H3
InChIKeyDQSBUFZZOXQHAI-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.98
Rot. Bonds8

About 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol

3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol (PubChem CID 106811255) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
PubChem CID106811255
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)CC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-3-13(16,11-14)7-5-8-15(2)10-12-6-4-9-17-12/h12,16H,3-11,14H2,1-2H3
InChIKeyDQSBUFZZOXQHAI-UHFFFAOYSA-N
XLogP0.98
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
CID 106811265
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol (CID 106811255) is 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol is CCC(O)(CN)CCCN(C)CC1CCCO1.
What is the InChIKey of 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol?
The InChIKey is DQSBUFZZOXQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-13(16,11-14)7-5-8-15(2)10-12-6-4-9-17-12/h12,16H,3-11,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol has a molecular weight of 244.38 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol is sourced from PubChem (CID 106811255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).