N,3-dimethylbut-2-en-1-amine

C6H13N — CID 12688299

IUPACN,3-dimethylbut-2-en-1-amine
SMILESCNCC=C(C)C
InChIInChI=1S/C6H13N/c1-6(2)4-5-7-3/h4,7H,5H2,1-3H3
InChIKeyZZPSWDZXWOPXGB-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.17
Rot. Bonds2

About N,3-dimethylbut-2-en-1-amine

N,3-dimethylbut-2-en-1-amine (PubChem CID 12688299) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethylbut-2-en-1-amine
PubChem CID12688299
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN,3-dimethylbut-2-en-1-amine
SMILESCNCC=C(C)C
InChIInChI=1S/C6H13N/c1-6(2)4-5-7-3/h4,7H,5H2,1-3H3
InChIKeyZZPSWDZXWOPXGB-UHFFFAOYSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
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,3-dimethylbut-2-en-1-amine?
The IUPAC name of N,3-dimethylbut-2-en-1-amine (CID 12688299) is N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for N,3-dimethylbut-2-en-1-amine is CNCC=C(C)C.
What is the InChIKey of N,3-dimethylbut-2-en-1-amine?
The InChIKey is ZZPSWDZXWOPXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)4-5-7-3/h4,7H,5H2,1-3H3.
What are the key properties of N,3-dimethylbut-2-en-1-amine?
N,3-dimethylbut-2-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 12688299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).