N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline

C15H26N2 — CID 142231722

IUPACN,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccc(N(C)C)cc1)C(C)C
InChIInChI=1S/C15H26N2/c1-6-11-17(13(2)3)12-14-7-9-15(10-8-14)16(4)5/h7-10,13H,6,11-12H2,1-5H3
InChIKeyQRFFIJMAPLJWIW-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.37
Rot. Bonds6

About N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline

N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline (PubChem CID 142231722) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
PubChem CID142231722
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccc(N(C)C)cc1)C(C)C
InChIInChI=1S/C15H26N2/c1-6-11-17(13(2)3)12-14-7-9-15(10-8-14)16(4)5/h7-10,13H,6,11-12H2,1-5H3
InChIKeyQRFFIJMAPLJWIW-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
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-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62422195
4-[[propan-2-yl(propyl)amino]methyl]benzenecarbothioamide
CID 43269597
4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 63573274
N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylmethanesulfonamide
CID 23732403
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
N'-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409088
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
CID 39363585
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-1-amine
CID 43269701

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline (CID 142231722) is N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline is CCCN(Cc1ccc(N(C)C)cc1)C(C)C.
What is the InChIKey of N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline?
The InChIKey is QRFFIJMAPLJWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-11-17(13(2)3)12-14-7-9-15(10-8-14)16(4)5/h7-10,13H,6,11-12H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline?
N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline is sourced from PubChem (CID 142231722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).