ethane;N-(2-methylprop-2-enyl)butan-2-amine

C10H23N — CID 143106441

IUPACethane;N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CC.CC
InChIInChI=1S/C8H17N.C2H6/c1-5-8(4)9-6-7(2)3;1-2/h8-9H,2,5-6H2,1,3-4H3;1-2H3
InChIKeyUPSZVADRDRGVNS-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.98
Rot. Bonds4

About ethane;N-(2-methylprop-2-enyl)butan-2-amine

ethane;N-(2-methylprop-2-enyl)butan-2-amine (PubChem CID 143106441) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;N-(2-methylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound Nameethane;N-(2-methylprop-2-enyl)butan-2-amine
PubChem CID143106441
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CNC(C)CC.CC
InChIInChI=1S/C8H17N.C2H6/c1-5-8(4)9-6-7(2)3;1-2/h8-9H,2,5-6H2,1,3-4H3;1-2H3
InChIKeyUPSZVADRDRGVNS-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylprop-2-enyl)butan-2-amine?
The IUPAC name of ethane;N-(2-methylprop-2-enyl)butan-2-amine (CID 143106441) is ethane;N-(2-methylprop-2-enyl)butan-2-amine.
What is the SMILES notation for ethane;N-(2-methylprop-2-enyl)butan-2-amine?
The canonical SMILES for ethane;N-(2-methylprop-2-enyl)butan-2-amine is C=C(C)CNC(C)CC.CC.
What is the InChIKey of ethane;N-(2-methylprop-2-enyl)butan-2-amine?
The InChIKey is UPSZVADRDRGVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-5-8(4)9-6-7(2)3;1-2/h8-9H,2,5-6H2,1,3-4H3;1-2H3.
What are the key properties of ethane;N-(2-methylprop-2-enyl)butan-2-amine?
ethane;N-(2-methylprop-2-enyl)butan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 143106441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).