4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline

C17H30N2 — CID 145098744

IUPAC4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
SMILESCCCCNCc1ccc(N(CC)CCC)cc1C
InChIInChI=1S/C17H30N2/c1-5-8-11-18-14-16-9-10-17(13-15(16)4)19(7-3)12-6-2/h9-10,13,18H,5-8,11-12,14H2,1-4H3
InChIKeyJRQSXNAPZHVUNS-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.12
Rot. Bonds9

About 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline

4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline (PubChem CID 145098744) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline.

Molecular Properties

Compound Name4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
PubChem CID145098744
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
SMILESCCCCNCc1ccc(N(CC)CCC)cc1C
InChIInChI=1S/C17H30N2/c1-5-8-11-18-14-16-9-10-17(13-15(16)4)19(7-3)12-6-2/h9-10,13,18H,5-8,11-12,14H2,1-4H3
InChIKeyJRQSXNAPZHVUNS-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.12
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline;(4-ethyl-2-methylphenyl)methanamine
CID 145098743
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
CID 62135693
4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline
CID 143655102
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442

Frequently Asked Questions

What is the IUPAC name of 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline?
The IUPAC name of 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline (CID 145098744) is 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline.
What is the SMILES notation for 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline?
The canonical SMILES for 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline is CCCCNCc1ccc(N(CC)CCC)cc1C.
What is the InChIKey of 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline?
The InChIKey is JRQSXNAPZHVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-8-11-18-14-16-9-10-17(13-15(16)4)19(7-3)12-6-2/h9-10,13,18H,5-8,11-12,14H2,1-4H3.
What are the key properties of 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline?
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline has a molecular weight of 262.44 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline is sourced from PubChem (CID 145098744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).