N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline

C17H26N2 — CID 107399942

IUPACN-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
SMILESCCN(CC1CCC1)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-19(13-15-4-3-5-15)17-10-6-14(7-11-17)12-18-16-8-9-16/h6-7,10-11,15-16,18H,2-5,8-9,12-13H2,1H3
InChIKeyFKNIAJQLYSJLFF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.57
Rot. Bonds7

About N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline

N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline (PubChem CID 107399942) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
PubChem CID107399942
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline
SMILESCCN(CC1CCC1)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-19(13-15-4-3-5-15)17-10-6-14(7-11-17)12-18-16-8-9-16/h6-7,10-11,15-16,18H,2-5,8-9,12-13H2,1H3
InChIKeyFKNIAJQLYSJLFF-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107399965
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401850
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398830
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylaniline
CID 61445151
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401902

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline?
The IUPAC name of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline (CID 107399942) is N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline?
The canonical SMILES for N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline is CCN(CC1CCC1)c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline?
The InChIKey is FKNIAJQLYSJLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-19(13-15-4-3-5-15)17-10-6-14(7-11-17)12-18-16-8-9-16/h6-7,10-11,15-16,18H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline?
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline has a molecular weight of 258.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylaniline is sourced from PubChem (CID 107399942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).