3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine

C10H21N — CID 59751871

IUPAC3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine
SMILESC=C(C)CNCCC(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2)8-11-7-6-10(3,4)5/h11H,1,6-8H2,2-5H3
InChIKeyUDJUIYMSYSDTRV-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds4

About 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine

3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine (PubChem CID 59751871) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine
PubChem CID59751871
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine
SMILESC=C(C)CNCCC(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2)8-11-7-6-10(3,4)5/h11H,1,6-8H2,2-5H3
InChIKeyUDJUIYMSYSDTRV-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine (CID 59751871) is 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine is C=C(C)CNCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine?
The InChIKey is UDJUIYMSYSDTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)8-11-7-6-10(3,4)5/h11H,1,6-8H2,2-5H3.
What are the key properties of 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine?
3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylprop-2-enyl)butan-1-amine is sourced from PubChem (CID 59751871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).