4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol

C14H27NO3 — CID 79125186

IUPAC4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
SMILESCCCC1CC(O)(C2(CN)CCOCC2)CCO1
InChIInChI=1S/C14H27NO3/c1-2-3-12-10-14(16,6-9-18-12)13(11-15)4-7-17-8-5-13/h12,16H,2-11,15H2,1H3
InChIKeyKWNOJFRBZFLYMQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.45
Rot. Bonds4

About 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol

4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol (PubChem CID 79125186) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
PubChem CID79125186
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
SMILESCCCC1CC(O)(C2(CN)CCOCC2)CCO1
InChIInChI=1S/C14H27NO3/c1-2-3-12-10-14(16,6-9-18-12)13(11-15)4-7-17-8-5-13/h12,16H,2-11,15H2,1H3
InChIKeyKWNOJFRBZFLYMQ-UHFFFAOYSA-N
XLogP1.45
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(aminomethyl)-3-methylcyclopentyl]-2-propyloxan-4-ol
CID 79123923
4-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-2-propyloxan-4-ol
CID 79123419
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
1-[4-(aminomethyl)oxan-4-yl]-3,5-dimethylcyclohexan-1-ol
CID 79124414
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
4-[4-(aminomethyl)oxan-4-yl]-1-propylazepan-4-ol
CID 79125941
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol
CID 103376940
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
CID 79124984
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol?
The IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol (CID 79125186) is 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol.
What is the SMILES notation for 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol?
The canonical SMILES for 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol is CCCC1CC(O)(C2(CN)CCOCC2)CCO1.
What is the InChIKey of 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol?
The InChIKey is KWNOJFRBZFLYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-12-10-14(16,6-9-18-12)13(11-15)4-7-17-8-5-13/h12,16H,2-11,15H2,1H3.
What are the key properties of 4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol?
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol has a molecular weight of 257.37 g/mol, XLogP of 1.45, 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]-2-propyloxan-4-ol is sourced from PubChem (CID 79125186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).