N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

C12H28N2O2 — CID 61418838

IUPACN-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(CCOC)CCOC
InChIInChI=1S/C12H28N2O2/c1-5-12(2)13-6-7-14(8-10-15-3)9-11-16-4/h12-13H,5-11H2,1-4H3
InChIKeyKMSUFHLNSCAOFM-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.97
Rot. Bonds11

About N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 61418838) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
PubChem CID61418838
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(CCOC)CCOC
InChIInChI=1S/C12H28N2O2/c1-5-12(2)13-6-7-14(8-10-15-3)9-11-16-4/h12-13H,5-11H2,1-4H3
InChIKeyKMSUFHLNSCAOFM-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-bis(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62560843
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
N-(2-methoxyethyl)butan-2-amine
CID 43190188
2-[2-(butan-2-ylamino)ethyl-(2-hydroxyethyl)amino]ethanol
CID 130198825
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62462476
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
CID 62040984
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
N',N'-bis(2-methoxyethyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62561783
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile
CID 62842933

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (CID 61418838) is N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is CCC(C)NCCN(CCOC)CCOC.
What is the InChIKey of N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is KMSUFHLNSCAOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-5-12(2)13-6-7-14(8-10-15-3)9-11-16-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 61418838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).