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

C12H23NO — CID 105005567

IUPAC2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCOC1C
InChIInChI=1S/C12H23NO/c1-5-7-13-12(9(2)3)11-6-8-14-10(11)4/h10-13H,2,5-8H2,1,3-4H3
InChIKeyDOVDKUJNCFLCRJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

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

2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine (PubChem CID 105005567) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine
PubChem CID105005567
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCOC1C
InChIInChI=1S/C12H23NO/c1-5-7-13-12(9(2)3)11-6-8-14-10(11)4/h10-13H,2,5-8H2,1,3-4H3
InChIKeyDOVDKUJNCFLCRJ-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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

3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
CID 79178837
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527
1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107004692
N-ethyl-2-methyl-1-(2-methylcyclopropyl)prop-2-en-1-amine
CID 79177520
1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
[2-ethyl-1-(2-methyloxolan-3-yl)butyl]hydrazine
CID 105324024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine (CID 105005567) is 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1CCOC1C.
What is the InChIKey of 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine?
The InChIKey is DOVDKUJNCFLCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-7-13-12(9(2)3)11-6-8-14-10(11)4/h10-13H,2,5-8H2,1,3-4H3.
What are the key properties of 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine?
2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105005567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).