2-[(1-ethylazepan-4-yl)amino]ethanol

C10H22N2O — CID 65074439

IUPAC2-[(1-ethylazepan-4-yl)amino]ethanol
SMILESCCN1CCCC(NCCO)CC1
InChIInChI=1S/C10H22N2O/c1-2-12-7-3-4-10(5-8-12)11-6-9-13/h10-11,13H,2-9H2,1H3
InChIKeyZWPXXKCXWBYYIG-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds4

About 2-[(1-ethylazepan-4-yl)amino]ethanol

2-[(1-ethylazepan-4-yl)amino]ethanol (PubChem CID 65074439) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[(1-ethylazepan-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-ethylazepan-4-yl)amino]ethanol
PubChem CID65074439
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[(1-ethylazepan-4-yl)amino]ethanol
SMILESCCN1CCCC(NCCO)CC1
InChIInChI=1S/C10H22N2O/c1-2-12-7-3-4-10(5-8-12)11-6-9-13/h10-11,13H,2-9H2,1H3
InChIKeyZWPXXKCXWBYYIG-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
CID 79393828
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
1-ethyl-N-pent-4-ynylazepan-4-amine
CID 106220583
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819
2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
CID 114164233
N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
CID 65073766
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylazepan-4-yl)amino]ethanol?
The IUPAC name of 2-[(1-ethylazepan-4-yl)amino]ethanol (CID 65074439) is 2-[(1-ethylazepan-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-ethylazepan-4-yl)amino]ethanol?
The canonical SMILES for 2-[(1-ethylazepan-4-yl)amino]ethanol is CCN1CCCC(NCCO)CC1.
What is the InChIKey of 2-[(1-ethylazepan-4-yl)amino]ethanol?
The InChIKey is ZWPXXKCXWBYYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-12-7-3-4-10(5-8-12)11-6-9-13/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[(1-ethylazepan-4-yl)amino]ethanol?
2-[(1-ethylazepan-4-yl)amino]ethanol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylazepan-4-yl)amino]ethanol is sourced from PubChem (CID 65074439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).