2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine

C10H24N2O — CID 89211324

IUPAC2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine
SMILESCCC(CNC)NC[C@@H](CC)OC
InChIInChI=1S/C10H24N2O/c1-5-9(7-11-3)12-8-10(6-2)13-4/h9-12H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyFTUGCWXHLKFASE-QVDQXJPCSA-N
MW188.31 g/mol
LogP1.00
Rot. Bonds8

About 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine

2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine (PubChem CID 89211324) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine
PubChem CID89211324
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine
SMILESCCC(CNC)NC[C@@H](CC)OC
InChIInChI=1S/C10H24N2O/c1-5-9(7-11-3)12-8-10(6-2)13-4/h9-12H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyFTUGCWXHLKFASE-QVDQXJPCSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine (CID 89211324) is 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine is CCC(CNC)NC[C@@H](CC)OC.
What is the InChIKey of 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine?
The InChIKey is FTUGCWXHLKFASE-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-9(7-11-3)12-8-10(6-2)13-4/h9-12H,5-8H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine?
2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-2-methoxybutyl]-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 89211324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).