N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline

C17H29N3 — CID 63207739

IUPACN-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCCCNCc1ccc(N(C)CCN2CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-3-10-18-15-16-6-8-17(9-7-16)19(2)13-14-20-11-4-5-12-20/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyGHYFBQYBUHWILS-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds8

About N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline

N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 63207739) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID63207739
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCCCNCc1ccc(N(C)CCN2CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-3-10-18-15-16-6-8-17(9-7-16)19(2)13-14-20-11-4-5-12-20/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyGHYFBQYBUHWILS-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63209215
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123201796
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline (CID 63207739) is N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline is CCCNCc1ccc(N(C)CCN2CCCC2)cc1.
What is the InChIKey of N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is GHYFBQYBUHWILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-10-18-15-16-6-8-17(9-7-16)19(2)13-14-20-11-4-5-12-20/h6-9,18H,3-5,10-15H2,1-2H3.
What are the key properties of N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline?
N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 275.44 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propylaminomethyl)-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 63207739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).