N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine

C11H23NO — CID 102640592

IUPACN,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)C)CNC
InChIInChI=1S/C11H23NO/c1-6-11(4,9-12-5)7-8-13-10(2)3/h6,10,12H,1,7-9H2,2-5H3
InChIKeySECUIAROHNNJNX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine

N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine (PubChem CID 102640592) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
PubChem CID102640592
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CCOC(C)C)CNC
InChIInChI=1S/C11H23NO/c1-6-11(4,9-12-5)7-8-13-10(2)3/h6,10,12H,1,7-9H2,2-5H3
InChIKeySECUIAROHNNJNX-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
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

N,2-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
CID 144887236
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-Methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640407
2-Methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415
2-Methyl-2-[2-(3-methylbutoxy)ethyl]but-3-en-1-amine
CID 102640421
2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640488
2-[2-(2-methoxyethoxy)ethyl]-N,2-dimethylbut-3-en-1-amine
CID 102640490

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The IUPAC name of N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine (CID 102640592) is N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The canonical SMILES for N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine is C=CC(C)(CCOC(C)C)CNC.
What is the InChIKey of N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
The InChIKey is SECUIAROHNNJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-11(4,9-12-5)7-8-13-10(2)3/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine?
N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine is sourced from PubChem (CID 102640592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).