4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline

C17H28N2 — CID 63786963

IUPAC4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
SMILESCCN(c1ccc(CC(C)N)c(C)c1)C1CCCC1
InChIInChI=1S/C17H28N2/c1-4-19(16-7-5-6-8-16)17-10-9-15(12-14(3)18)13(2)11-17/h9-11,14,16H,4-8,12,18H2,1-3H3
InChIKeyMWIQJHGKLDOLQJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.65
Rot. Bonds5

About 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline

4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline (PubChem CID 63786963) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
PubChem CID63786963
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
SMILESCCN(c1ccc(CC(C)N)c(C)c1)C1CCCC1
InChIInChI=1S/C17H28N2/c1-4-19(16-7-5-6-8-16)17-10-9-15(12-14(3)18)13(2)11-17/h9-11,14,16H,4-8,12,18H2,1-3H3
InChIKeyMWIQJHGKLDOLQJ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 107080258
4-(chloromethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 55222345
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62136544
4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
CID 63794504
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 55236601
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
CID 63783720
4-(2-aminopropyl)-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63793652
4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 63815618

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline (CID 63786963) is 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline is CCN(c1ccc(CC(C)N)c(C)c1)C1CCCC1.
What is the InChIKey of 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
The InChIKey is MWIQJHGKLDOLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(16-7-5-6-8-16)17-10-9-15(12-14(3)18)13(2)11-17/h9-11,14,16H,4-8,12,18H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline is sourced from PubChem (CID 63786963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).