N,N-dimethylbutan-1-amine

C6H14N+ — CID 136646688

IUPACN,N-dimethylbutan-1-amine
SMILES[CH2+]CCCN(C)C
InChIInChI=1S/C6H14N/c1-4-5-6-7(2)3/h1,4-6H2,2-3H3/q+1
InChIKeySYBNEQUKHCESBW-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.16
Rot. Bonds3

About N,N-dimethylbutan-1-amine

N,N-dimethylbutan-1-amine (PubChem CID 136646688) has the molecular formula C6H14N+ and a molecular weight of 100.19 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine
PubChem CID136646688
Molecular FormulaC6H14N+
Molecular Weight100.19 g/mol
Exact Mass100.11
IUPAC NameN,N-dimethylbutan-1-amine
SMILES[CH2+]CCCN(C)C
InChIInChI=1S/C6H14N/c1-4-5-6-7(2)3/h1,4-6H2,2-3H3/q+1
InChIKeySYBNEQUKHCESBW-UHFFFAOYSA-N
XLogP1.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
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,N-dimethylbutan-1-amine?
The IUPAC name of N,N-dimethylbutan-1-amine (CID 136646688) is N,N-dimethylbutan-1-amine.
What is the SMILES notation for N,N-dimethylbutan-1-amine?
The canonical SMILES for N,N-dimethylbutan-1-amine is [CH2+]CCCN(C)C.
What is the InChIKey of N,N-dimethylbutan-1-amine?
The InChIKey is SYBNEQUKHCESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N/c1-4-5-6-7(2)3/h1,4-6H2,2-3H3/q+1.
What are the key properties of N,N-dimethylbutan-1-amine?
N,N-dimethylbutan-1-amine has a molecular weight of 100.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine is sourced from PubChem (CID 136646688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).