4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol

C13H27NO2 — CID 79411600

IUPAC4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
SMILESCCCC(CN)C(O)CCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-2-5-11(10-14)13(15)8-7-12-6-3-4-9-16-12/h11-13,15H,2-10,14H2,1H3
InChIKeyZOOPDDPZLICCEJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.07
Rot. Bonds7

About 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol

4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol (PubChem CID 79411600) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
PubChem CID79411600
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
SMILESCCCC(CN)C(O)CCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-2-5-11(10-14)13(15)8-7-12-6-3-4-9-16-12/h11-13,15H,2-10,14H2,1H3
InChIKeyZOOPDDPZLICCEJ-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
4-methoxy-1-(oxolan-2-yl)heptan-3-ol
CID 116711704
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
1-(oxan-2-yl)nonan-3-amine
CID 115833397
5-(aminomethyl)-6-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 107443069
4-(oxolan-2-ylmethyl)hexadecan-5-ol
CID 171637766
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol?
The IUPAC name of 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol (CID 79411600) is 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol?
The canonical SMILES for 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol is CCCC(CN)C(O)CCC1CCCCO1.
What is the InChIKey of 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol?
The InChIKey is ZOOPDDPZLICCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-5-11(10-14)13(15)8-7-12-6-3-4-9-16-12/h11-13,15H,2-10,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol?
4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol has a molecular weight of 229.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol is sourced from PubChem (CID 79411600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).