N,3-dimethylbutan-1-amine

C6H15N — CID 521020

IUPACN,3-dimethylbutan-1-amine
SMILESCNCCC(C)C
InChIInChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3
InChIKeyQSOCODZVGPDGDA-UHFFFAOYSA-N
MW101.19 g/mol
LogP1.25
Rot. Bonds3

About N,3-dimethylbutan-1-amine

N,3-dimethylbutan-1-amine (PubChem CID 521020) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethylbutan-1-amine
PubChem CID521020
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC NameN,3-dimethylbutan-1-amine
SMILESCNCCC(C)C
InChIInChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3
InChIKeyQSOCODZVGPDGDA-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbutan-1-amine?
The IUPAC name of N,3-dimethylbutan-1-amine (CID 521020) is N,3-dimethylbutan-1-amine.
What is the SMILES notation for N,3-dimethylbutan-1-amine?
The canonical SMILES for N,3-dimethylbutan-1-amine is CNCCC(C)C.
What is the InChIKey of N,3-dimethylbutan-1-amine?
The InChIKey is QSOCODZVGPDGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N,3-dimethylbutan-1-amine?
N,3-dimethylbutan-1-amine has a molecular weight of 101.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbutan-1-amine is sourced from PubChem (CID 521020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).