1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol

C12H26N2O2 — CID 53369436

IUPAC1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-11(2)16-10-12(15)9-14-6-4-5-13(3)7-8-14/h11-12,15H,4-10H2,1-3H3
InChIKeyBLUVGEYYOOPTKZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.41
Rot. Bonds5

About 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol

1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 53369436) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID53369436
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-11(2)16-10-12(15)9-14-6-4-5-13(3)7-8-14/h11-12,15H,4-10H2,1-3H3
InChIKeyBLUVGEYYOOPTKZ-UHFFFAOYSA-N
XLogP0.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
1-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-1,4-diazepan-1-yl]ethanone
CID 95357999
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 95388910
1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 63987410
1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208
1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 13273131
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422240
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
CID 63989269
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78820436
1-[2-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]propoxy]butan-2-ol
CID 134429316
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol (CID 53369436) is 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCCN(C)CC1.
What is the InChIKey of 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is BLUVGEYYOOPTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)16-10-12(15)9-14-6-4-5-13(3)7-8-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol?
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 53369436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).