N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine

C20H24N2O — CID 3156812

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCn1c2ccccc2c2cc(CNCC3CCCO3)ccc21
InChIInChI=1S/C20H24N2O/c1-2-22-19-8-4-3-7-17(19)18-12-15(9-10-20(18)22)13-21-14-16-6-5-11-23-16/h3-4,7-10,12,16,21H,2,5-6,11,13-14H2,1H3
InChIKeyXBUPRSWJADEZNF-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.08
Rot. Bonds5

About N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 3156812) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID3156812
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCn1c2ccccc2c2cc(CNCC3CCCO3)ccc21
InChIInChI=1S/C20H24N2O/c1-2-22-19-8-4-3-7-17(19)18-12-15(9-10-20(18)22)13-21-14-16-6-5-11-23-16/h3-4,7-10,12,16,21H,2,5-6,11,13-14H2,1H3
InChIKeyXBUPRSWJADEZNF-UHFFFAOYSA-N
XLogP4.08
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine 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-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 3156812) is N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine is CCn1c2ccccc2c2cc(CNCC3CCCO3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XBUPRSWJADEZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-22-19-8-4-3-7-17(19)18-12-15(9-10-20(18)22)13-21-14-16-6-5-11-23-16/h3-4,7-10,12,16,21H,2,5-6,11,13-14H2,1H3.
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 308.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3156812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).