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

C7H15N — CID 538645

IUPACN,N,3-trimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)C
InChIInChI=1S/C7H15N/c1-6(2)7(3)8(4)5/h6H,3H2,1-2,4-5H3
InChIKeyVATSJSRZJOBAIT-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.72
Rot. Bonds2

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

N,N,3-trimethylbut-1-en-2-amine (PubChem CID 538645) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N,N,3-trimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN,N,3-trimethylbut-1-en-2-amine
PubChem CID538645
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN,N,3-trimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)C
InChIInChI=1S/C7H15N/c1-6(2)7(3)8(4)5/h6H,3H2,1-2,4-5H3
InChIKeyVATSJSRZJOBAIT-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylbut-1-en-2-amine?
The IUPAC name of N,N,3-trimethylbut-1-en-2-amine (CID 538645) is N,N,3-trimethylbut-1-en-2-amine.
What is the SMILES notation for N,N,3-trimethylbut-1-en-2-amine?
The canonical SMILES for N,N,3-trimethylbut-1-en-2-amine is C=C(C(C)C)N(C)C.
What is the InChIKey of N,N,3-trimethylbut-1-en-2-amine?
The InChIKey is VATSJSRZJOBAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-6(2)7(3)8(4)5/h6H,3H2,1-2,4-5H3.
What are the key properties of N,N,3-trimethylbut-1-en-2-amine?
N,N,3-trimethylbut-1-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylbut-1-en-2-amine is sourced from PubChem (CID 538645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).