2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol

C14H30N2O — CID 103904654

IUPAC2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-4-14(5-2,12-17)11-15-13-7-6-9-16(3)10-8-13/h13,15,17H,4-12H2,1-3H3
InChIKeyURYXULQWJSEDRH-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds6

About 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol

2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol (PubChem CID 103904654) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
PubChem CID103904654
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-4-14(5-2,12-17)11-15-13-7-6-9-16(3)10-8-13/h13,15,17H,4-12H2,1-3H3
InChIKeyURYXULQWJSEDRH-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
CID 114164233
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81418718
2-[[(1,1-dioxothian-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 81413030
2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol
CID 106252194
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
CID 81412783
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propane-1,3-diamine
CID 63234674
2-ethyl-2-[(1-methylpiperidin-4-yl)amino]propane-1,3-diol
CID 115927628
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol
CID 107226446

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol (CID 103904654) is 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCCN(C)CC1.
What is the InChIKey of 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol?
The InChIKey is URYXULQWJSEDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-14(5-2,12-17)11-15-13-7-6-9-16(3)10-8-13/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 103904654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).