N-methyl-1-[2-(methylamino)butoxy]butan-2-amine

C10H24N2O — CID 90079765

IUPACN-methyl-1-[2-(methylamino)butoxy]butan-2-amine
SMILESCCC(COCC(CC)NC)NC
InChIInChI=1S/C10H24N2O/c1-5-9(11-3)7-13-8-10(6-2)12-4/h9-12H,5-8H2,1-4H3
InChIKeyNGKUYOHOSQONCS-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.00
Rot. Bonds8

About N-methyl-1-[2-(methylamino)butoxy]butan-2-amine

N-methyl-1-[2-(methylamino)butoxy]butan-2-amine (PubChem CID 90079765) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N-methyl-1-[2-(methylamino)butoxy]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(methylamino)butoxy]butan-2-amine
PubChem CID90079765
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN-methyl-1-[2-(methylamino)butoxy]butan-2-amine
SMILESCCC(COCC(CC)NC)NC
InChIInChI=1S/C10H24N2O/c1-5-9(11-3)7-13-8-10(6-2)12-4/h9-12H,5-8H2,1-4H3
InChIKeyNGKUYOHOSQONCS-UHFFFAOYSA-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 N-methyl-1-[2-(methylamino)butoxy]butan-2-amine?
The IUPAC name of N-methyl-1-[2-(methylamino)butoxy]butan-2-amine (CID 90079765) is N-methyl-1-[2-(methylamino)butoxy]butan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(methylamino)butoxy]butan-2-amine?
The canonical SMILES for N-methyl-1-[2-(methylamino)butoxy]butan-2-amine is CCC(COCC(CC)NC)NC.
What is the InChIKey of N-methyl-1-[2-(methylamino)butoxy]butan-2-amine?
The InChIKey is NGKUYOHOSQONCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-9(11-3)7-13-8-10(6-2)12-4/h9-12H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-[2-(methylamino)butoxy]butan-2-amine?
N-methyl-1-[2-(methylamino)butoxy]butan-2-amine 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 N-methyl-1-[2-(methylamino)butoxy]butan-2-amine is sourced from PubChem (CID 90079765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).