2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine

C10H21NO — CID 102640415

IUPAC2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CCOC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4,8-11)6-7-12-9(2)3/h5,9H,1,6-8,11H2,2-4H3
InChIKeyICUGOEHZVQXRHO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds6

About 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine

2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine (PubChem CID 102640415) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
PubChem CID102640415
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CCOC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4,8-11)6-7-12-9(2)3/h5,9H,1,6-8,11H2,2-4H3
InChIKeyICUGOEHZVQXRHO-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-ethenyl-2,4-dimethylpentan-1-amine
CID 102640269
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
2-(2-ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370
2-propan-2-yloxyethanamine
CID 533866
2,2-dimethyl-4-propan-2-yloxybutan-1-ol
CID 66023618
(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene
CID 89254898
3,3,4,4,6,6-hexamethyl-1-propan-2-yloxyheptane
CID 91137551
2-(2-ethenoxyethoxy)propane
CID 14510947
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059114
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
3-methyl-3-(2-methylprop-2-enoxy)-1-propan-2-yloxybutane
CID 90221696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine (CID 102640415) is 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine is C=CC(C)(CN)CCOC(C)C.
What is the InChIKey of 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The InChIKey is ICUGOEHZVQXRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(4,8-11)6-7-12-9(2)3/h5,9H,1,6-8,11H2,2-4H3.
What are the key properties of 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine is sourced from PubChem (CID 102640415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).