2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline

C15H25N3 — CID 83117063

IUPAC2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
SMILESCN(C)C1(CNCc2ccccc2N)CCCC1
InChIInChI=1S/C15H25N3/c1-18(2)15(9-5-6-10-15)12-17-11-13-7-3-4-8-14(13)16/h3-4,7-8,17H,5-6,9-12,16H2,1-2H3
InChIKeyQBOZDQVPHSYLRW-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.23
Rot. Bonds5

About 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline

2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline (PubChem CID 83117063) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
PubChem CID83117063
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline
SMILESCN(C)C1(CNCc2ccccc2N)CCCC1
InChIInChI=1S/C15H25N3/c1-18(2)15(9-5-6-10-15)12-17-11-13-7-3-4-8-14(13)16/h3-4,7-8,17H,5-6,9-12,16H2,1-2H3
InChIKeyQBOZDQVPHSYLRW-UHFFFAOYSA-N
XLogP2.23
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide
CID 105413522
3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzene-1,2-diol
CID 105415267
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
2-[2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetonitrile
CID 105414765
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743
N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
CID 83113145
1-[[(5-ethylfuran-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 80712467
1-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 115967895
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[(2-chloro-5-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102615902

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline?
The IUPAC name of 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline (CID 83117063) is 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline is CN(C)C1(CNCc2ccccc2N)CCCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline?
The InChIKey is QBOZDQVPHSYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-18(2)15(9-5-6-10-15)12-17-11-13-7-3-4-8-14(13)16/h3-4,7-8,17H,5-6,9-12,16H2,1-2H3.
What are the key properties of 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline?
2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]aniline is sourced from PubChem (CID 83117063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).