3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine

C13H25NO — CID 105004284

IUPAC3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCOC1C
InChIInChI=1S/C13H25NO/c1-5-7-14-13(9-10(2)3)12-6-8-15-11(12)4/h11-14H,2,5-9H2,1,3-4H3
InChIKeyPWRLNGXDYBKLGK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

About 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine

3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine (PubChem CID 105004284) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
PubChem CID105004284
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CCOC1C
InChIInChI=1S/C13H25NO/c1-5-7-14-13(9-10(2)3)12-6-8-15-11(12)4/h11-14H,2,5-9H2,1,3-4H3
InChIKeyPWRLNGXDYBKLGK-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine
CID 105005567
3-methyl-1-(2-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 107189757
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79185600
1-cyclohexyl-3-methyl-N-propylbut-3-en-1-amine
CID 79179369
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
CID 79662653
1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79185086
N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
1-(2-methyloxolan-3-yl)butylhydrazine
CID 105282218
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine (CID 105004284) is 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1CCOC1C.
What is the InChIKey of 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine?
The InChIKey is PWRLNGXDYBKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-14-13(9-10(2)3)12-6-8-15-11(12)4/h11-14H,2,5-9H2,1,3-4H3.
What are the key properties of 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine?
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 105004284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).