N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine

C10H25N3O — CID 103034073

IUPACN'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
SMILESCOC(C)(C)CCN(CCN)CCN
InChIInChI=1S/C10H25N3O/c1-10(2,14-3)4-7-13(8-5-11)9-6-12/h4-9,11-12H2,1-3H3
InChIKeyHFBQYNXKQWILCC-UHFFFAOYSA-N
MW203.33 g/mol
LogP0.02
Rot. Bonds8

About N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine (PubChem CID 103034073) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
PubChem CID103034073
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC NameN'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
SMILESCOC(C)(C)CCN(CCN)CCN
InChIInChI=1S/C10H25N3O/c1-10(2,14-3)4-7-13(8-5-11)9-6-12/h4-9,11-12H2,1-3H3
InChIKeyHFBQYNXKQWILCC-UHFFFAOYSA-N
XLogP0.02
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034042
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488262
2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
CID 103033017
3-ethoxy-N,N-bis(3-ethoxy-3-methylbutyl)-3-methylbutan-1-amine
CID 155135764
N',N'-bis(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
CID 86811567
1-bromo-2-(bromomethyl)-5-methoxy-2,5-dimethylhexane
CID 103019029
4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline
CID 103034084
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
6-methoxy-3,6-dimethylheptan-1-amine
CID 103019673
3-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 103034470
4-[[(3-methoxy-3-methylbutyl)-propylamino]methyl]aniline
CID 103034086

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine (CID 103034073) is N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine is COC(C)(C)CCN(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
The InChIKey is HFBQYNXKQWILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O/c1-10(2,14-3)4-7-13(8-5-11)9-6-12/h4-9,11-12H2,1-3H3.
What are the key properties of N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine has a molecular weight of 203.33 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 103034073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).