2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine

C10H21N — CID 101446483

IUPAC2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
SMILESC=CC(C)(C)NCC(C)CC
InChIInChI=1S/C10H21N/c1-6-9(3)8-11-10(4,5)7-2/h7,9,11H,2,6,8H2,1,3-5H3
InChIKeyJFEMEHRTGCOYBL-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine

2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine (PubChem CID 101446483) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
PubChem CID101446483
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine
SMILESC=CC(C)(C)NCC(C)CC
InChIInChI=1S/C10H21N/c1-6-9(3)8-11-10(4,5)7-2/h7,9,11H,2,6,8H2,1,3-5H3
InChIKeyJFEMEHRTGCOYBL-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3,3,6-trimethyloct-1-ene
CID 123906537
azane;2-methyl-N-prop-2-enylbut-3-en-2-amine;hydrochloride
CID 175381941
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CID 103897103
2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62835035
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
2-methyl-N-phosphanylbutan-1-amine
CID 88977726
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine (CID 101446483) is 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine is C=CC(C)(C)NCC(C)CC.
What is the InChIKey of 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine?
The InChIKey is JFEMEHRTGCOYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-6-9(3)8-11-10(4,5)7-2/h7,9,11H,2,6,8H2,1,3-5H3.
What are the key properties of 2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine?
2-methyl-N-(2-methylbut-3-en-2-yl)butan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 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-methylbut-3-en-2-yl)butan-1-amine is sourced from PubChem (CID 101446483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).