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

C6H13N — CID 15393104

IUPAC3,3-dimethylbut-1-en-2-amine
SMILESC=C(N)C(C)(C)C
InChIInChI=1S/C6H13N/c1-5(7)6(2,3)4/h1,7H2,2-4H3
InChIKeyWXDDEWYHHHPZLF-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.50
Rot. Bonds

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

3,3-dimethylbut-1-en-2-amine (PubChem CID 15393104) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name3,3-dimethylbut-1-en-2-amine
PubChem CID15393104
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name3,3-dimethylbut-1-en-2-amine
SMILESC=C(N)C(C)(C)C
InChIInChI=1S/C6H13N/c1-5(7)6(2,3)4/h1,7H2,2-4H3
InChIKeyWXDDEWYHHHPZLF-UHFFFAOYSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbut-1-en-2-amine?
The IUPAC name of 3,3-dimethylbut-1-en-2-amine (CID 15393104) is 3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for 3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for 3,3-dimethylbut-1-en-2-amine is C=C(N)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbut-1-en-2-amine?
The InChIKey is WXDDEWYHHHPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5(7)6(2,3)4/h1,7H2,2-4H3.
What are the key properties of 3,3-dimethylbut-1-en-2-amine?
3,3-dimethylbut-1-en-2-amine has a molecular weight of 99.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 15393104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).