N-methyl-3-methylbutan-2-amine

C6H14N+ — CID 90927017

IUPACN-methyl-3-methylbutan-2-amine
SMILES[CH2+]C(C)C(C)NC
InChIInChI=1S/C6H14N/c1-5(2)6(3)7-4/h5-7H,1H2,2-4H3/q+1
InChIKeyPHBZORGFIMXMRP-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.06
Rot. Bonds2

About N-methyl-3-methylbutan-2-amine

N-methyl-3-methylbutan-2-amine (PubChem CID 90927017) has the molecular formula C6H14N+ and a molecular weight of 100.19 g/mol. Its IUPAC name is N-methyl-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylbutan-2-amine
PubChem CID90927017
Molecular FormulaC6H14N+
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC NameN-methyl-3-methylbutan-2-amine
SMILES[CH2+]C(C)C(C)NC
InChIInChI=1S/C6H14N/c1-5(2)6(3)7-4/h5-7H,1H2,2-4H3/q+1
InChIKeyPHBZORGFIMXMRP-UHFFFAOYSA-N
XLogP1.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylbutan-2-amine?
The IUPAC name of N-methyl-3-methylbutan-2-amine (CID 90927017) is N-methyl-3-methylbutan-2-amine.
What is the SMILES notation for N-methyl-3-methylbutan-2-amine?
The canonical SMILES for N-methyl-3-methylbutan-2-amine is [CH2+]C(C)C(C)NC.
What is the InChIKey of N-methyl-3-methylbutan-2-amine?
The InChIKey is PHBZORGFIMXMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N/c1-5(2)6(3)7-4/h5-7H,1H2,2-4H3/q+1.
What are the key properties of N-methyl-3-methylbutan-2-amine?
N-methyl-3-methylbutan-2-amine has a molecular weight of 100.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylbutan-2-amine is sourced from PubChem (CID 90927017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).