4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline

C17H30N2 — CID 55235076

IUPAC4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
SMILESCCCCN(c1ccc(CC(C)N)cc1)C(C)CC
InChIInChI=1S/C17H30N2/c1-5-7-12-19(15(4)6-2)17-10-8-16(9-11-17)13-14(3)18/h8-11,14-15H,5-7,12-13,18H2,1-4H3
InChIKeySBUHLYZBTRNPJF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.98
Rot. Bonds8

About 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline

4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline (PubChem CID 55235076) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
PubChem CID55235076
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
SMILESCCCCN(c1ccc(CC(C)N)cc1)C(C)CC
InChIInChI=1S/C17H30N2/c1-5-7-12-19(15(4)6-2)17-10-8-16(9-11-17)13-14(3)18/h8-11,14-15H,5-7,12-13,18H2,1-4H3
InChIKeySBUHLYZBTRNPJF-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline (CID 55235076) is 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline is CCCCN(c1ccc(CC(C)N)cc1)C(C)CC.
What is the InChIKey of 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline?
The InChIKey is SBUHLYZBTRNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-12-19(15(4)6-2)17-10-8-16(9-11-17)13-14(3)18/h8-11,14-15H,5-7,12-13,18H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline?
4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline has a molecular weight of 262.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline is sourced from PubChem (CID 55235076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).