(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine

C9H22N2O — CID 167207521

IUPAC(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCC[C@@H](CN(C)CCOC)NC
InChIInChI=1S/C9H22N2O/c1-5-9(10-2)8-11(3)6-7-12-4/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyRQUFUFGEIIXABZ-VIFPVBQESA-N
MW174.29 g/mol
LogP0.56
Rot. Bonds7

About (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine

(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 167207521) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
PubChem CID167207521
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
SMILESCC[C@@H](CN(C)CCOC)NC
InChIInChI=1S/C9H22N2O/c1-5-9(10-2)8-11(3)6-7-12-4/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyRQUFUFGEIIXABZ-VIFPVBQESA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-2-(methylamino)propan-1-ol
CID 64825404
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 63694501
3-[butan-2-yl(2-methoxyethyl)amino]-2-(methylamino)propan-1-ol
CID 64825973
1-cyclopentyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745174
1-N-cyclopropyl-1-N-(2-methoxyethyl)-4-N-methylhexane-1,4-diamine
CID 106799560
1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505898
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693
1-N-(2-methoxyethyl)-2-N,3-dimethyl-1-N-propan-2-ylpentane-1,2-diamine
CID 82948133
4-[2-methoxyethyl(pentan-3-yl)amino]-3-(methylamino)butan-1-ol
CID 64898384
molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine
CID 176566866
3-methoxy-1-N,2-N-dimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 107505411

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine (CID 167207521) is (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine is CC[C@@H](CN(C)CCOC)NC.
What is the InChIKey of (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is RQUFUFGEIIXABZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-9(10-2)8-11(3)6-7-12-4/h9-10H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine?
(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 167207521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).