N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine

C9H17N — CID 130225203

IUPACN-ethenyl-N-ethyl-3-methylbut-1-en-2-amine
SMILESC=CN(CC)C(=C)C(C)C
InChIInChI=1S/C9H17N/c1-6-10(7-2)9(5)8(3)4/h6,8H,1,5,7H2,2-4H3
InChIKeyHGERJLLRTROFRI-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.62
Rot. Bonds4

About N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine

N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine (PubChem CID 130225203) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-ethyl-3-methylbut-1-en-2-amine
PubChem CID130225203
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-ethenyl-N-ethyl-3-methylbut-1-en-2-amine
SMILESC=CN(CC)C(=C)C(C)C
InChIInChI=1S/C9H17N/c1-6-10(7-2)9(5)8(3)4/h6,8H,1,5,7H2,2-4H3
InChIKeyHGERJLLRTROFRI-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine?
The IUPAC name of N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine (CID 130225203) is N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine.
What is the SMILES notation for N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine?
The canonical SMILES for N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine is C=CN(CC)C(=C)C(C)C.
What is the InChIKey of N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine?
The InChIKey is HGERJLLRTROFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-10(7-2)9(5)8(3)4/h6,8H,1,5,7H2,2-4H3.
What are the key properties of N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine?
N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethyl-3-methylbut-1-en-2-amine is sourced from PubChem (CID 130225203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).