N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine

C9H17N — CID 89343037

IUPACN,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine
SMILESC=C(C)N(C)C(C)=C(C)C
InChIInChI=1S/C9H17N/c1-7(2)9(5)10(6)8(3)4/h3H2,1-2,4-6H3
InChIKeyHBASWVXHBWETKN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.77
Rot. Bonds2

About N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine

N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine (PubChem CID 89343037) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine
PubChem CID89343037
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine
SMILESC=C(C)N(C)C(C)=C(C)C
InChIInChI=1S/C9H17N/c1-7(2)9(5)10(6)8(3)4/h3H2,1-2,4-6H3
InChIKeyHBASWVXHBWETKN-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine?
The IUPAC name of N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine (CID 89343037) is N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine.
What is the SMILES notation for N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine?
The canonical SMILES for N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine is C=C(C)N(C)C(C)=C(C)C.
What is the InChIKey of N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine?
The InChIKey is HBASWVXHBWETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9(5)10(6)8(3)4/h3H2,1-2,4-6H3.
What are the key properties of N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine?
N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-prop-1-en-2-ylbut-2-en-2-amine is sourced from PubChem (CID 89343037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).