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

C7H15N — CID 55288138

IUPACN,2,2-trimethylbut-3-en-1-amine
SMILESC=CC(C)(C)CNC
InChIInChI=1S/C7H15N/c1-5-7(2,3)6-8-4/h5,8H,1,6H2,2-4H3
InChIKeyGUJKQAGLEDBCBP-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.42
Rot. Bonds3

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

N,2,2-trimethylbut-3-en-1-amine (PubChem CID 55288138) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N,2,2-trimethylbut-3-en-1-amine.

Molecular Properties

Compound NameN,2,2-trimethylbut-3-en-1-amine
PubChem CID55288138
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN,2,2-trimethylbut-3-en-1-amine
SMILESC=CC(C)(C)CNC
InChIInChI=1S/C7H15N/c1-5-7(2,3)6-8-4/h5,8H,1,6H2,2-4H3
InChIKeyGUJKQAGLEDBCBP-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.42
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,2,2-trimethylbut-3-en-1-amine?
The IUPAC name of N,2,2-trimethylbut-3-en-1-amine (CID 55288138) is N,2,2-trimethylbut-3-en-1-amine.
What is the SMILES notation for N,2,2-trimethylbut-3-en-1-amine?
The canonical SMILES for N,2,2-trimethylbut-3-en-1-amine is C=CC(C)(C)CNC.
What is the InChIKey of N,2,2-trimethylbut-3-en-1-amine?
The InChIKey is GUJKQAGLEDBCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-5-7(2,3)6-8-4/h5,8H,1,6H2,2-4H3.
What are the key properties of N,2,2-trimethylbut-3-en-1-amine?
N,2,2-trimethylbut-3-en-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethylbut-3-en-1-amine is sourced from PubChem (CID 55288138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).