N-ethenyl-N,2-dimethylbutan-1-amine

C8H17N — CID 90965303

IUPACN-ethenyl-N,2-dimethylbutan-1-amine
SMILESC=CN(C)CC(C)CC
InChIInChI=1S/C8H17N/c1-5-8(3)7-9(4)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyXWYJNIOBOHVGCZ-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.11
Rot. Bonds4

About N-ethenyl-N,2-dimethylbutan-1-amine

N-ethenyl-N,2-dimethylbutan-1-amine (PubChem CID 90965303) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-ethenyl-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-N,2-dimethylbutan-1-amine
PubChem CID90965303
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-ethenyl-N,2-dimethylbutan-1-amine
SMILESC=CN(C)CC(C)CC
InChIInChI=1S/C8H17N/c1-5-8(3)7-9(4)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyXWYJNIOBOHVGCZ-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N,2-dimethylbutan-1-amine?
The IUPAC name of N-ethenyl-N,2-dimethylbutan-1-amine (CID 90965303) is N-ethenyl-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-ethenyl-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-ethenyl-N,2-dimethylbutan-1-amine is C=CN(C)CC(C)CC.
What is the InChIKey of N-ethenyl-N,2-dimethylbutan-1-amine?
The InChIKey is XWYJNIOBOHVGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-8(3)7-9(4)6-2/h6,8H,2,5,7H2,1,3-4H3.
What are the key properties of N-ethenyl-N,2-dimethylbutan-1-amine?
N-ethenyl-N,2-dimethylbutan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 90965303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).