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

C7H15N — CID 20672931

IUPACN,N,2-trimethylbut-3-en-2-amine
SMILESC=CC(C)(C)N(C)C
InChIInChI=1S/C7H15N/c1-6-7(2,3)8(4)5/h6H,1H2,2-5H3
InChIKeyGCAUKPWWHSRWEG-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.51
Rot. Bonds2

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

N,N,2-trimethylbut-3-en-2-amine (PubChem CID 20672931) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N,N,2-trimethylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N,2-trimethylbut-3-en-2-amine
PubChem CID20672931
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN,N,2-trimethylbut-3-en-2-amine
SMILESC=CC(C)(C)N(C)C
InChIInChI=1S/C7H15N/c1-6-7(2,3)8(4)5/h6H,1H2,2-5H3
InChIKeyGCAUKPWWHSRWEG-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.51
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,2-trimethylbut-3-en-2-amine?
The IUPAC name of N,N,2-trimethylbut-3-en-2-amine (CID 20672931) is N,N,2-trimethylbut-3-en-2-amine.
What is the SMILES notation for N,N,2-trimethylbut-3-en-2-amine?
The canonical SMILES for N,N,2-trimethylbut-3-en-2-amine is C=CC(C)(C)N(C)C.
What is the InChIKey of N,N,2-trimethylbut-3-en-2-amine?
The InChIKey is GCAUKPWWHSRWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-6-7(2,3)8(4)5/h6H,1H2,2-5H3.
What are the key properties of N,N,2-trimethylbut-3-en-2-amine?
N,N,2-trimethylbut-3-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylbut-3-en-2-amine is sourced from PubChem (CID 20672931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).