N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline

C18H32N2 — CID 63553375

IUPACN,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
SMILESCCCCCN(C)c1ccc(CNCC(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-6-7-8-11-20(5)18-10-9-17(12-16(18)4)14-19-13-15(2)3/h9-10,12,15,19H,6-8,11,13-14H2,1-5H3
InChIKeyGMFJPLOEAODDKN-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.37
Rot. Bonds9

About N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline

N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline (PubChem CID 63553375) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline.

Molecular Properties

Compound NameN,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
PubChem CID63553375
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
SMILESCCCCCN(C)c1ccc(CNCC(C)C)cc1C
InChIInChI=1S/C18H32N2/c1-6-7-8-11-20(5)18-10-9-17(12-16(18)4)14-19-13-15(2)3/h9-10,12,15,19H,6-8,11,13-14H2,1-5H3
InChIKeyGMFJPLOEAODDKN-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.37
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)aniline
CID 79843640
N,2-dimethyl-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63551714
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
4-(bromomethyl)-N,2-dimethyl-N-pentylaniline
CID 107080122
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N-butyl-4-[(cyclopropylamino)methyl]-N,2-dimethylaniline
CID 62120655
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63069776
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060808
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline?
The IUPAC name of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline (CID 63553375) is N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline.
What is the SMILES notation for N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline?
The canonical SMILES for N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline is CCCCCN(C)c1ccc(CNCC(C)C)cc1C.
What is the InChIKey of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline?
The InChIKey is GMFJPLOEAODDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-7-8-11-20(5)18-10-9-17(12-16(18)4)14-19-13-15(2)3/h9-10,12,15,19H,6-8,11,13-14H2,1-5H3.
What are the key properties of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline?
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline is sourced from PubChem (CID 63553375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).