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

C15H32N2O — CID 114164233

IUPAC2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
SMILESCCN1CCCC(NCC(CC)(CC)CO)CC1
InChIInChI=1S/C15H32N2O/c1-4-15(5-2,13-18)12-16-14-8-7-10-17(6-3)11-9-14/h14,16,18H,4-13H2,1-3H3
InChIKeySPCYWHZYMWXRQZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds7

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

2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol (PubChem CID 114164233) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
PubChem CID114164233
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
SMILESCCN1CCCC(NCC(CC)(CC)CO)CC1
InChIInChI=1S/C15H32N2O/c1-4-15(5-2,13-18)12-16-14-8-7-10-17(6-3)11-9-14/h14,16,18H,4-13H2,1-3H3
InChIKeySPCYWHZYMWXRQZ-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
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
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
2-[(1-ethylazepan-4-yl)amino]acetic acid
CID 65074488
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
2-[[(1,1-dioxothian-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 81413030
3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
2-[4-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-1,4-diazepan-1-yl]ethanol
CID 107226446
N-tert-butyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 113293184

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol (CID 114164233) is 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol is CCN1CCCC(NCC(CC)(CC)CO)CC1.
What is the InChIKey of 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol?
The InChIKey is SPCYWHZYMWXRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-15(5-2,13-18)12-16-14-8-7-10-17(6-3)11-9-14/h14,16,18H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 114164233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).