N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine

C9H17N — CID 123338825

IUPACN,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine
SMILESC=C(C)N(C)C=C(C)CC
InChIInChI=1S/C9H17N/c1-6-9(4)7-10(5)8(2)3/h7H,2,6H2,1,3-5H3
InChIKeyYLDAEPJIYJDSTN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.77
Rot. Bonds3

About N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine

N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine (PubChem CID 123338825) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine
PubChem CID123338825
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine
SMILESC=C(C)N(C)C=C(C)CC
InChIInChI=1S/C9H17N/c1-6-9(4)7-10(5)8(2)3/h7H,2,6H2,1,3-5H3
InChIKeyYLDAEPJIYJDSTN-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine?
The IUPAC name of N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine (CID 123338825) is N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine is C=C(C)N(C)C=C(C)CC.
What is the InChIKey of N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine?
The InChIKey is YLDAEPJIYJDSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-9(4)7-10(5)8(2)3/h7H,2,6H2,1,3-5H3.
What are the key properties of N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine?
N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-prop-1-en-2-ylbut-1-en-1-amine is sourced from PubChem (CID 123338825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).