1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol

C12H25NO2 — CID 79137738

IUPAC1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
SMILESCCCCCCC(O)C1(CN)CCOC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-11(14)12(9-13)7-8-15-10-12/h11,14H,2-10,13H2,1H3
InChIKeyKHKPZSTVWWBCEM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.68
Rot. Bonds7

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

1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol (PubChem CID 79137738) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
PubChem CID79137738
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol
SMILESCCCCCCC(O)C1(CN)CCOC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-11(14)12(9-13)7-8-15-10-12/h11,14H,2-10,13H2,1H3
InChIKeyKHKPZSTVWWBCEM-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
1-(4-ethoxyoxan-4-yl)nonan-1-ol
CID 116754253
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924
1-(3-butyloxetan-3-yl)butan-1-ol
CID 68634297
(1R)-1-[1-(aminomethyl)-3-methylcyclobutyl]pentan-1-ol
CID 97035451
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-[4-(aminomethyl)oxan-4-yl]octan-1-one
CID 116603025

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol (CID 79137738) is 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol is CCCCCCC(O)C1(CN)CCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol?
The InChIKey is KHKPZSTVWWBCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-5-6-11(14)12(9-13)7-8-15-10-12/h11,14H,2-10,13H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol?
1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]heptan-1-ol is sourced from PubChem (CID 79137738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).