3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine

C12H23NO — CID 103093573

IUPAC3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)C(C)=CC1CCOC1
InChIInChI=1S/C12H23NO/c1-4-6-13-11(3)10(2)8-12-5-7-14-9-12/h8,11-13H,4-7,9H2,1-3H3
InChIKeyBXCXAPUMQCAODC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

About 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine

3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine (PubChem CID 103093573) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine
PubChem CID103093573
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)C(C)=CC1CCOC1
InChIInChI=1S/C12H23NO/c1-4-6-13-11(3)10(2)8-12-5-7-14-9-12/h8,11-13H,4-7,9H2,1-3H3
InChIKeyBXCXAPUMQCAODC-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'}

Analyze 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278117
(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79323519
3-methyl-4-(oxan-3-yl)but-3-en-2-amine
CID 103091888
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
N-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278072
(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79329656
3-[2-(bromomethyl)but-1-enyl]oxolane
CID 115278036
3-methyl-N-propylhepta-3,5-dien-2-amine
CID 123356687
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
4-cyclopropyl-N,3-dimethylbut-3-en-2-amine
CID 103093078

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine (CID 103093573) is 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine is CCCNC(C)C(C)=CC1CCOC1.
What is the InChIKey of 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine?
The InChIKey is BXCXAPUMQCAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-13-11(3)10(2)8-12-5-7-14-9-12/h8,11-13H,4-7,9H2,1-3H3.
What are the key properties of 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine?
3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-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 3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).