2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine

C12H25N — CID 18710926

IUPAC2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
SMILESC=C(C)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25N/c1-10(2)8-13-12(6,7)9-11(3,4)5/h13H,1,8-9H2,2-7H3
InChIKeyUSGSZBXZYFKEEI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds4

About 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine

2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine (PubChem CID 18710926) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
PubChem CID18710926
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine
SMILESC=C(C)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C12H25N/c1-10(2)8-13-12(6,7)9-11(3,4)5/h13H,1,8-9H2,2-7H3
InChIKeyUSGSZBXZYFKEEI-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
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 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine (CID 18710926) is 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine is C=C(C)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
The InChIKey is USGSZBXZYFKEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)8-13-12(6,7)9-11(3,4)5/h13H,1,8-9H2,2-7H3.
What are the key properties of 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine?
2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2-methylprop-2-enyl)pentan-2-amine is sourced from PubChem (CID 18710926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).