3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine

C12H25NO — CID 106547392

IUPAC3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
SMILESCC(C)=CCNCCCCOC(C)C
InChIInChI=1S/C12H25NO/c1-11(2)7-9-13-8-5-6-10-14-12(3)4/h7,12-13H,5-6,8-10H2,1-4H3
InChIKeyWSOUVEHEOHNPCX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds8

About 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine

3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine (PubChem CID 106547392) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
PubChem CID106547392
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine
SMILESCC(C)=CCNCCCCOC(C)C
InChIInChI=1S/C12H25NO/c1-11(2)7-9-13-8-5-6-10-14-12(3)4/h7,12-13H,5-6,8-10H2,1-4H3
InChIKeyWSOUVEHEOHNPCX-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
CID 103266527
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
1,6-di(propan-2-yloxy)hexane
CID 10899702
N'-hydroxy-2-(4-propan-2-yloxybutylamino)ethanimidamide
CID 106011945
3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]but-2-en-1-amine
CID 106546970
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
3-methyl-N-propylbut-2-en-1-amine
CID 55206819

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine (CID 106547392) is 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine is CC(C)=CCNCCCCOC(C)C.
What is the InChIKey of 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine?
The InChIKey is WSOUVEHEOHNPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)7-9-13-8-5-6-10-14-12(3)4/h7,12-13H,5-6,8-10H2,1-4H3.
What are the key properties of 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine?
3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-propan-2-yloxybutyl)but-2-en-1-amine is sourced from PubChem (CID 106547392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).