N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline

C16H26N2 — CID 62120655

IUPACN-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
SMILESCCCCN(C)c1ccc(CNC2CC2)cc1C
InChIInChI=1S/C16H26N2/c1-4-5-10-18(3)16-9-6-14(11-13(16)2)12-17-15-7-8-15/h6,9,11,15,17H,4-5,7-8,10,12H2,1-3H3
InChIKeyXMJZSNNYRZFEJW-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.48
Rot. Bonds7

About N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline

N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline (PubChem CID 62120655) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
PubChem CID62120655
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
SMILESCCCCN(C)c1ccc(CNC2CC2)cc1C
InChIInChI=1S/C16H26N2/c1-4-5-10-18(3)16-9-6-14(11-13(16)2)12-17-15-7-8-15/h6,9,11,15,17H,4-5,7-8,10,12H2,1-3H3
InChIKeyXMJZSNNYRZFEJW-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-pentylpyridin-2-amine
CID 80630395
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
CID 63553375
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434960
4-(bromomethyl)-N,2-dimethyl-N-pentylaniline
CID 107080122
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylthiolan-3-amine
CID 62119974
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
CID 62123829
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
CID 62120667
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline?
The IUPAC name of N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline (CID 62120655) is N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline?
The canonical SMILES for N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline is CCCCN(C)c1ccc(CNC2CC2)cc1C.
What is the InChIKey of N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline?
The InChIKey is XMJZSNNYRZFEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-5-10-18(3)16-9-6-14(11-13(16)2)12-17-15-7-8-15/h6,9,11,15,17H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline?
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline is sourced from PubChem (CID 62120655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).