2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol

C14H31N3O — CID 114540881

IUPAC2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
SMILESCNC(C)(CO)CCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-12-9-17(10-13(2)16(12)5)8-6-7-14(3,11-18)15-4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyIKRHXXRZGVRFMF-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds6

About 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol

2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol (PubChem CID 114540881) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
PubChem CID114540881
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
SMILESCNC(C)(CO)CCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-12-9-17(10-13(2)16(12)5)8-6-7-14(3,11-18)15-4/h12-13,15,18H,6-11H2,1-5H3
InChIKeyIKRHXXRZGVRFMF-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol
CID 104961381
2-methyl-2-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66372029
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol
CID 79170912
4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64791015
2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 64797300
2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114547158
2-(cyclopropylamino)-5-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64798617
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol
CID 79170911
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539447
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol (CID 114540881) is 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol is CNC(C)(CO)CCCN1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol?
The InChIKey is IKRHXXRZGVRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12-9-17(10-13(2)16(12)5)8-6-7-14(3,11-18)15-4/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol?
2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 114540881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).