N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine

C12H28N2O — CID 81079086

IUPACN'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCOCCN(CCC(C)CN)CC(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)10-14(7-8-15-4)6-5-12(3)9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyHIUWZBVEFSMQCU-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.58
Rot. Bonds9

About N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine

N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine (PubChem CID 81079086) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
PubChem CID81079086
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCOCCN(CCC(C)CN)CC(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)10-14(7-8-15-4)6-5-12(3)9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyHIUWZBVEFSMQCU-UHFFFAOYSA-N
XLogP1.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82683899
N-[2-(2-aminoethoxy)ethyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 79478302
1-[2-methoxyethyl(2-methylpropyl)amino]-4,4-dimethylpentan-3-ol
CID 62624635
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
ethyl 2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoate
CID 63053393
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
N',2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080701

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine (CID 81079086) is N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine is COCCN(CCC(C)CN)CC(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is HIUWZBVEFSMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)10-14(7-8-15-4)6-5-12(3)9-13/h11-12H,5-10,13H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine?
N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 81079086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).