N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine

C21H29N3 — CID 163666400

IUPACN'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine
SMILESCN(C)Cc1cc(CN(C)CN(C)C)cc2c1-c1ccccc1C2
InChIInChI=1S/C21H29N3/c1-22(2)14-19-11-16(13-24(5)15-23(3)4)10-18-12-17-8-6-7-9-20(17)21(18)19/h6-11H,12-15H2,1-5H3
InChIKeyUPJVWRODBCPBIT-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.27
Rot. Bonds6

About N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine

N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine (PubChem CID 163666400) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine.

Molecular Properties

Compound NameN'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine
PubChem CID163666400
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC NameN'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine
SMILESCN(C)Cc1cc(CN(C)CN(C)C)cc2c1-c1ccccc1C2
InChIInChI=1S/C21H29N3/c1-22(2)14-19-11-16(13-24(5)15-23(3)4)10-18-12-17-8-6-7-9-20(17)21(18)19/h6-11H,12-15H2,1-5H3
InChIKeyUPJVWRODBCPBIT-UHFFFAOYSA-N
XLogP3.27
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine 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'-[[1-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl]-N,N,N'-trimethylmethanediamine;N'-[[2-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N,N,N'-trimethylmethanediamine;N'-[[3-[(dimethylamino)methyl]-9H-fluoren-1-yl]methyl]-N,N,N'-trimethylmethanediamine;N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine;ethane
CID 163666398
1-(9H-fluoren-3-yl)-N,N-dimethylmethanamine
CID 147952103
N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 167675917
2-ethyl-4-methyl-9H-fluorene
CID 150403501
N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 167585595
2,4-dichloro-9H-fluorene
CID 101371792
2,4-difluoro-9H-fluorene
CID 19773988
N,N-dimethyl-1-[7-[[methyl-[(3-phenylphenyl)methyl]amino]methyl]-9H-fluoren-3-yl]methanamine
CID 167585560
ethene;9H-fluorene
CID 159544077
3-ethyl-1-hydroxy-10H-anthracen-9-one
CID 58923362
4-(phenoxymethyl)-9H-fluorene
CID 3414387
1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
CID 160791086

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine?
The IUPAC name of N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine (CID 163666400) is N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine.
What is the SMILES notation for N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine?
The canonical SMILES for N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine is CN(C)Cc1cc(CN(C)CN(C)C)cc2c1-c1ccccc1C2.
What is the InChIKey of N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine?
The InChIKey is UPJVWRODBCPBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-22(2)14-19-11-16(13-24(5)15-23(3)4)10-18-12-17-8-6-7-9-20(17)21(18)19/h6-11H,12-15H2,1-5H3.
What are the key properties of N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine?
N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine has a molecular weight of 323.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine is sourced from PubChem (CID 163666400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).