3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol

C12H26N2O2 — CID 64897757

IUPAC3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
SMILESCCNC(CCO)CN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O2/c1-3-13-12(5-7-15)10-14-6-4-8-16-11(2)9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyDTGSBPVOXIQDOH-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds6

About 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol

3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol (PubChem CID 64897757) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
PubChem CID64897757
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
SMILESCCNC(CCO)CN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O2/c1-3-13-12(5-7-15)10-14-6-4-8-16-11(2)9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyDTGSBPVOXIQDOH-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol
CID 64791300
3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol
CID 64897760
1-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutan-2-amine
CID 62989010
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
2-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoic acid
CID 63055582
2-(methylamino)-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64797801
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
CID 113417223
1-cyclopentyl-N-ethyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 104744367
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
CID 62974242

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol (CID 64897757) is 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol is CCNC(CCO)CN1CCCOC(C)C1.
What is the InChIKey of 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol?
The InChIKey is DTGSBPVOXIQDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-13-12(5-7-15)10-14-6-4-8-16-11(2)9-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol?
3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol is sourced from PubChem (CID 64897757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).