3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol

C11H24N2O2 — CID 64897760

IUPAC3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol
SMILESCCNC(CCO)CN1CCCOCC1
InChIInChI=1S/C11H24N2O2/c1-2-12-11(4-7-14)10-13-5-3-8-15-9-6-13/h11-12,14H,2-10H2,1H3
InChIKeyDIPSAFPPXXQYHB-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.07
Rot. Bonds6

About 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol

3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol (PubChem CID 64897760) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol
PubChem CID64897760
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol
SMILESCCNC(CCO)CN1CCCOCC1
InChIInChI=1S/C11H24N2O2/c1-2-12-11(4-7-14)10-13-5-3-8-15-9-6-13/h11-12,14H,2-10H2,1H3
InChIKeyDIPSAFPPXXQYHB-UHFFFAOYSA-N
XLogP0.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
CID 64897757
4-[4-(dimethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-ol
CID 64900324
N-ethyl-4-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987293
1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
CID 62988157
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
CID 62987110
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
CID 113417223
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
CID 64791676
2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
CID 63073024

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol (CID 64897760) is 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol is CCNC(CCO)CN1CCCOCC1.
What is the InChIKey of 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol?
The InChIKey is DIPSAFPPXXQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-12-11(4-7-14)10-13-5-3-8-15-9-6-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol?
3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol is sourced from PubChem (CID 64897760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).