1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol

C9H22N2O — CID 62338146

IUPAC1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol
SMILESCC(O)CN(C)CCNC(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)10-5-6-11(4)7-9(3)12/h8-10,12H,5-7H2,1-4H3
InChIKeyBMLAVPKIXSSQFH-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.30
Rot. Bonds6

About 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol

1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol (PubChem CID 62338146) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol
PubChem CID62338146
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol
SMILESCC(O)CN(C)CCNC(C)C
InChIInChI=1S/C9H22N2O/c1-8(2)10-5-6-11(4)7-9(3)12/h8-10,12H,5-7H2,1-4H3
InChIKeyBMLAVPKIXSSQFH-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
1-[[methyl-[2-(propan-2-ylamino)ethyl]amino]methyl]cyclopentan-1-ol
CID 114952468
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;molecular hydrogen
CID 145190713
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid
CID 22091665
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
1-[butyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43165831
N'-(3-ethylsulfonylpropyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 65093188

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol (CID 62338146) is 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol is CC(O)CN(C)CCNC(C)C.
What is the InChIKey of 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol?
The InChIKey is BMLAVPKIXSSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(2)10-5-6-11(4)7-9(3)12/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol?
1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol has a molecular weight of 174.29 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol is sourced from PubChem (CID 62338146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).