2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine

C11H23N — CID 142811014

IUPAC2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
SMILESC=CCC(C)(C)NC(C)(C)CC
InChIInChI=1S/C11H23N/c1-7-9-11(5,6)12-10(3,4)8-2/h7,12H,1,8-9H2,2-6H3
InChIKeyXBLRHWOEGNZEQI-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds5

About 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine

2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine (PubChem CID 142811014) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
PubChem CID142811014
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
SMILESC=CCC(C)(C)NC(C)(C)CC
InChIInChI=1S/C11H23N/c1-7-9-11(5,6)12-10(3,4)8-2/h7,12H,1,8-9H2,2-6H3
InChIKeyXBLRHWOEGNZEQI-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 3691229
Pyridine, 1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-, hydrochloride
CID 70501
Piperidine, 3,4-didehydro-2,2,6,6-tetramethyl-
CID 70502
N-tert-Butyl-1,1-dimethylallylamine
CID 14477
Propane, 2-ethenyl-2-(1,1-dimethylallyl)amino-
CID 18683066
2,2,6,6-Tetramethylpyridinium chloride
CID 129716770
N-but-3-enyl-2-methylbutan-2-amine
CID 57591294
2-methyl-N-pent-4-enylbutan-2-amine
CID 64315086
CID 69148653
CID 69148653
4-ethenyl-N-(4-ethenylhepta-1,6-dien-4-yl)hepta-1,6-dien-4-amine
CID 88624997
3-methyl-N-(3-methylpent-1-en-3-yl)pent-1-en-3-amine
CID 121368572
2-methyl-N-(2-methylbutan-2-yl)pent-3-en-2-amine
CID 129291794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine?
The IUPAC name of 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine (CID 142811014) is 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine is C=CCC(C)(C)NC(C)(C)CC.
What is the InChIKey of 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine?
The InChIKey is XBLRHWOEGNZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-9-11(5,6)12-10(3,4)8-2/h7,12H,1,8-9H2,2-6H3.
What are the key properties of 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine?
2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 142811014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).