2-[(1-propan-2-ylazepan-4-yl)amino]ethanol

C11H24N2O — CID 65074438

IUPAC2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
SMILESCC(C)N1CCCC(NCCO)CC1
InChIInChI=1S/C11H24N2O/c1-10(2)13-7-3-4-11(5-8-13)12-6-9-14/h10-12,14H,3-9H2,1-2H3
InChIKeySLPSNOKOIMHUOU-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds4

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

2-[(1-propan-2-ylazepan-4-yl)amino]ethanol (PubChem CID 65074438) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
PubChem CID65074438
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
SMILESCC(C)N1CCCC(NCCO)CC1
InChIInChI=1S/C11H24N2O/c1-10(2)13-7-3-4-11(5-8-13)12-6-9-14/h10-12,14H,3-9H2,1-2H3
InChIKeySLPSNOKOIMHUOU-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933
2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
CID 83210079
2-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]propan-2-ol
CID 65103038
4-methyl-1-[(1-propan-2-ylazepan-4-yl)amino]pentan-2-ol
CID 107151725
N-[2-(oxolan-2-yl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073476
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072748
N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
CID 65074642
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol?
The IUPAC name of 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol (CID 65074438) is 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol?
The canonical SMILES for 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol is CC(C)N1CCCC(NCCO)CC1.
What is the InChIKey of 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol?
The InChIKey is SLPSNOKOIMHUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)13-7-3-4-11(5-8-13)12-6-9-14/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol?
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylazepan-4-yl)amino]ethanol is sourced from PubChem (CID 65074438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).