3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine

C13H30N2O — CID 82949086

IUPAC3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(C)C(C)N(CCOC)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-8-14-12(4)13(5)15(11(2)3)9-10-16-6/h11-14H,7-10H2,1-6H3
InChIKeyGFZIDHUQNSLXCO-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds9

About 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine

3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine (PubChem CID 82949086) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine
PubChem CID82949086
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(C)C(C)N(CCOC)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-8-14-12(4)13(5)15(11(2)3)9-10-16-6/h11-14H,7-10H2,1-6H3
InChIKeyGFZIDHUQNSLXCO-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
CID 82953440
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
CID 64646533
3-N,3-N-bis(2-methoxyethyl)-2-methyl-1-N-propylbutane-1,3-diamine
CID 79409379
3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
CID 64674074
1-N,1-N-bis(2-methoxyethyl)-2-N-propylbutane-1,2-diamine
CID 62040984
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
CID 64825577

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine (CID 82949086) is 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine is CCCNC(C)C(C)N(CCOC)C(C)C.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine?
The InChIKey is GFZIDHUQNSLXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-8-14-12(4)13(5)15(11(2)3)9-10-16-6/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine?
3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-propan-2-yl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 82949086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).