4-(1-aminopropan-2-yl)-1-propylazepan-4-ol

C12H26N2O — CID 79124217

IUPAC4-(1-aminopropan-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C(C)CN)CC1
InChIInChI=1S/C12H26N2O/c1-3-7-14-8-4-5-12(15,6-9-14)11(2)10-13/h11,15H,3-10,13H2,1-2H3
InChIKeyGWUUGTOBPLUOHS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.21
Rot. Bonds4

About 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol

4-(1-aminopropan-2-yl)-1-propylazepan-4-ol (PubChem CID 79124217) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-1-propylazepan-4-ol
PubChem CID79124217
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(1-aminopropan-2-yl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(C(C)CN)CC1
InChIInChI=1S/C12H26N2O/c1-3-7-14-8-4-5-12(15,6-9-14)11(2)10-13/h11,15H,3-10,13H2,1-2H3
InChIKeyGWUUGTOBPLUOHS-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylazepan-4-ol hydrochloride
CID 66653249
4-Methylazepan-4-OL
CID 53393484
4-(2-Aminoethyl)-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 83919438
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-4-methylazepan-4-ol
CID 107403994
3-Methyl-4-(trifluoromethyl)azepan-4-ol
CID 118798624
(3S,4S)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814860
(3S,4R)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814862
(3R,4R)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814863
(3R,4S)-3-methyl-4-(trifluoromethyl)azepan-4-ol
CID 124814864
1,4-Dimethylazepan-4-ol
CID 22967006
4-Methyl-1-(2-methylpropyl)azepan-4-ol
CID 59603507
4-(Aminomethyl)-1-methylazepan-4-ol
CID 65074910

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol?
The IUPAC name of 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol (CID 79124217) is 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol is CCCN1CCCC(O)(C(C)CN)CC1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol?
The InChIKey is GWUUGTOBPLUOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-7-14-8-4-5-12(15,6-9-14)11(2)10-13/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol?
4-(1-aminopropan-2-yl)-1-propylazepan-4-ol has a molecular weight of 214.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-1-propylazepan-4-ol is sourced from PubChem (CID 79124217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).