(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine

C11H23N — CID 13445284

IUPAC(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine
SMILESCC(C)(C)/C=C/CNC(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)8-7-9-12-11(4,5)6/h7-8,12H,9H2,1-6H3/b8-7+
InChIKeyYNVCPRHGNHHQQI-BQYQJAHWSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds2

About (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine

(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine (PubChem CID 13445284) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine
PubChem CID13445284
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine
SMILESCC(C)(C)/C=C/CNC(C)(C)C
InChIInChI=1S/C11H23N/c1-10(2,3)8-7-9-12-11(4,5)6/h7-8,12H,9H2,1-6H3/b8-7+
InChIKeyYNVCPRHGNHHQQI-BQYQJAHWSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
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 (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine (CID 13445284) is (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine is CC(C)(C)/C=C/CNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine?
The InChIKey is YNVCPRHGNHHQQI-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2,3)8-7-9-12-11(4,5)6/h7-8,12H,9H2,1-6H3/b8-7+.
What are the key properties of (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine?
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine is sourced from PubChem (CID 13445284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).