N,N-dimethylbut-3-en-2-amine

C6H13N — CID 13459667

IUPACN,N-dimethylbut-3-en-2-amine
SMILESC=CC(C)N(C)C
InChIInChI=1S/C6H13N/c1-5-6(2)7(3)4/h5-6H,1H2,2-4H3
InChIKeyIWSJEVGUBTUOPS-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.12
Rot. Bonds2

About N,N-dimethylbut-3-en-2-amine

N,N-dimethylbut-3-en-2-amine (PubChem CID 13459667) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N,N-dimethylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N-dimethylbut-3-en-2-amine
PubChem CID13459667
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN,N-dimethylbut-3-en-2-amine
SMILESC=CC(C)N(C)C
InChIInChI=1S/C6H13N/c1-5-6(2)7(3)4/h5-6H,1H2,2-4H3
InChIKeyIWSJEVGUBTUOPS-UHFFFAOYSA-N
XLogP1.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbut-3-en-2-amine?
The IUPAC name of N,N-dimethylbut-3-en-2-amine (CID 13459667) is N,N-dimethylbut-3-en-2-amine.
What is the SMILES notation for N,N-dimethylbut-3-en-2-amine?
The canonical SMILES for N,N-dimethylbut-3-en-2-amine is C=CC(C)N(C)C.
What is the InChIKey of N,N-dimethylbut-3-en-2-amine?
The InChIKey is IWSJEVGUBTUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5-6(2)7(3)4/h5-6H,1H2,2-4H3.
What are the key properties of N,N-dimethylbut-3-en-2-amine?
N,N-dimethylbut-3-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbut-3-en-2-amine is sourced from PubChem (CID 13459667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).