1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine

C11H26N2O — CID 82951758

IUPAC1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(C)(N)CN(CCOC)C(C)C
InChIInChI=1S/C11H26N2O/c1-6-11(4,12)9-13(10(2)3)7-8-14-5/h10H,6-9,12H2,1-5H3
InChIKeyNCYQSECGNISQIY-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds7

About 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine

1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 82951758) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID82951758
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(C)(N)CN(CCOC)C(C)C
InChIInChI=1S/C11H26N2O/c1-6-11(4,12)9-13(10(2)3)7-8-14-5/h10H,6-9,12H2,1-5H3
InChIKeyNCYQSECGNISQIY-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine (CID 82951758) is 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine is CCC(C)(N)CN(CCOC)C(C)C.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is NCYQSECGNISQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-6-11(4,12)9-13(10(2)3)7-8-14-5/h10H,6-9,12H2,1-5H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine?
1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-methyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 82951758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).