5-amino-1-ethylazepan-4-ol

C8H18N2O — CID 177033460

IUPAC5-amino-1-ethylazepan-4-ol
SMILESCCN1CCC(N)C(O)CC1
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-7(9)8(11)4-6-10/h7-8,11H,2-6,9H2,1H3
InChIKeyPAPXPQKMCXTKAW-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds1

About 5-amino-1-ethylazepan-4-ol

5-amino-1-ethylazepan-4-ol (PubChem CID 177033460) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 5-amino-1-ethylazepan-4-ol.

Molecular Properties

Compound Name5-amino-1-ethylazepan-4-ol
PubChem CID177033460
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name5-amino-1-ethylazepan-4-ol
SMILESCCN1CCC(N)C(O)CC1
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-7(9)8(11)4-6-10/h7-8,11H,2-6,9H2,1H3
InChIKeyPAPXPQKMCXTKAW-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-5-amino-1-methylazepan-4-ol
CID 176703641
(3S,4R)-3-(aminomethyl)-1-ethylpiperidin-4-amine
CID 99942865
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine
CID 166113474
ethane;1-ethyl-4-methylpiperidine
CID 143737046
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethylazepan-4-ol?
The IUPAC name of 5-amino-1-ethylazepan-4-ol (CID 177033460) is 5-amino-1-ethylazepan-4-ol.
What is the SMILES notation for 5-amino-1-ethylazepan-4-ol?
The canonical SMILES for 5-amino-1-ethylazepan-4-ol is CCN1CCC(N)C(O)CC1.
What is the InChIKey of 5-amino-1-ethylazepan-4-ol?
The InChIKey is PAPXPQKMCXTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-10-5-3-7(9)8(11)4-6-10/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 5-amino-1-ethylazepan-4-ol?
5-amino-1-ethylazepan-4-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethylazepan-4-ol is sourced from PubChem (CID 177033460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).