4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline

C17H29N3 — CID 78912341

IUPAC4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-19(2)16-9-7-15(8-10-16)13-18-14-17(20(3)4)11-5-6-12-17/h7-10,18H,5-6,11-14H2,1-4H3
InChIKeyYFRDPEFBBYHTTH-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds6

About 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline

4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline (PubChem CID 78912341) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
PubChem CID78912341
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCC2(N(C)C)CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-19(2)16-9-7-15(8-10-16)13-18-14-17(20(3)4)11-5-6-12-17/h7-10,18H,5-6,11-14H2,1-4H3
InChIKeyYFRDPEFBBYHTTH-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline (CID 78912341) is 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCC2(N(C)C)CCCC2)cc1.
What is the InChIKey of 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is YFRDPEFBBYHTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19(2)16-9-7-15(8-10-16)13-18-14-17(20(3)4)11-5-6-12-17/h7-10,18H,5-6,11-14H2,1-4H3.
What are the key properties of 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline?
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 275.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 78912341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).