N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

C15H30N2O — CID 55070191

IUPACN-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CCC(CNC(C)C)O1
InChIInChI=1S/C15H30N2O/c1-6-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13(4)5/h13-16H,2,6-11H2,1,3-5H3
InChIKeyFSXFQVAKVHXVCU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds8

About N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine

N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 55070191) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
PubChem CID55070191
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CCC(CNC(C)C)O1
InChIInChI=1S/C15H30N2O/c1-6-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13(4)5/h13-16H,2,6-11H2,1,3-5H3
InChIKeyFSXFQVAKVHXVCU-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine (CID 55070191) is N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is C=C(C)CN(CC)CC1CCC(CNC(C)C)O1.
What is the InChIKey of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is FSXFQVAKVHXVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-17(10-12(2)3)11-15-8-7-14(18-15)9-16-13(4)5/h13-16H,2,6-11H2,1,3-5H3.
What are the key properties of N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine?
N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 55070191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).