3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine

C9H22N2O — CID 61448111

IUPAC3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine
SMILESCCN(CCOC)C(C)C(C)N
InChIInChI=1S/C9H22N2O/c1-5-11(6-7-12-4)9(3)8(2)10/h8-9H,5-7,10H2,1-4H3
InChIKeyCWXVWLKOQOHZKL-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.69
Rot. Bonds6

About 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine

3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine (PubChem CID 61448111) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine
PubChem CID61448111
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine
SMILESCCN(CCOC)C(C)C(C)N
InChIInChI=1S/C9H22N2O/c1-5-11(6-7-12-4)9(3)8(2)10/h8-9H,5-7,10H2,1-4H3
InChIKeyCWXVWLKOQOHZKL-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-3-N-propylbutane-2,3-diamine
CID 61353173
3-amino-2-[ethyl(2-methoxyethyl)amino]-4-methylpentan-1-ol
CID 114356911
3-amino-2-[bis(2-methoxyethyl)amino]butan-1-ol
CID 64899164
4-N-ethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62436479
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
CID 62477993
1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
CID 61447801
3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol
CID 64897671
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2,2-dimethylbutane-1,3-diamine
CID 66453433
methyl 3-[ethyl(2-hydroxyethyl)amino]-2-methylbutanoate
CID 79407611
2-N-ethyl-3-methoxy-2-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103226108

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine (CID 61448111) is 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine is CCN(CCOC)C(C)C(C)N.
What is the InChIKey of 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine?
The InChIKey is CWXVWLKOQOHZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-5-11(6-7-12-4)9(3)8(2)10/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine?
3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine is sourced from PubChem (CID 61448111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).