1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine

C11H23NO — CID 146393761

IUPAC1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine
SMILESC=C(C)CC(C)(C)OCC(C)(C)N
InChIInChI=1S/C11H23NO/c1-9(2)7-11(5,6)13-8-10(3,4)12/h1,7-8,12H2,2-6H3
InChIKeySLWLWOCXIBDUPG-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds5

About 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine

1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine (PubChem CID 146393761) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine
PubChem CID146393761
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine
SMILESC=C(C)CC(C)(C)OCC(C)(C)N
InChIInChI=1S/C11H23NO/c1-9(2)7-11(5,6)13-8-10(3,4)12/h1,7-8,12H2,2-6H3
InChIKeySLWLWOCXIBDUPG-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
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

2,2,4-trimethylpent-4-enyl acetate
CID 15738243
1-(4-ethoxy-2-methylbutan-2-yl)oxy-2-methylpropan-2-amine
CID 170722890
1-hydroperoxy-2-methylpropan-2-amine
CID 59000383
2,4-dimethylhept-1-en-4-amine
CID 152808962
2,5-dimethylhex-5-en-2-amine
CID 130178475
3-(2-amino-2-methylpropoxy)-N-[2-(2-amino-2-methylpropoxy)-2-methylpropyl]-3-methylbutan-1-amine
CID 131999562
2-[3-(2-amino-2-methylpropoxy)-3-methylbutoxy]acetic acid
CID 160561756
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
propane;2,4,4-trimethylpent-1-ene
CID 145388380
5-(2-amino-2-methylpropoxy)-2,2,3,5-tetramethylhexanamide;propane
CID 166464908
2,3,3-trimethyl-4-(2-methylpentan-2-yloxy)but-1-ene
CID 123757864
2,2,4-trimethylpent-4-enyl (E)-2-methylbut-2-enoate
CID 15800965

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine?
The IUPAC name of 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine (CID 146393761) is 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine is C=C(C)CC(C)(C)OCC(C)(C)N.
What is the InChIKey of 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine?
The InChIKey is SLWLWOCXIBDUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-11(5,6)13-8-10(3,4)12/h1,7-8,12H2,2-6H3.
What are the key properties of 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine?
1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-amine is sourced from PubChem (CID 146393761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).