4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline

C16H28N2 — CID 63815852

IUPAC4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCC(C)CN(c1ccc(CC(C)N)cc1)C(C)C
InChIInChI=1S/C16H28N2/c1-12(2)11-18(13(3)4)16-8-6-15(7-9-16)10-14(5)17/h6-9,12-14H,10-11,17H2,1-5H3
InChIKeyYBODNLWBTKLLJW-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.45
Rot. Bonds6

About 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline

4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline (PubChem CID 63815852) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
PubChem CID63815852
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
SMILESCC(C)CN(c1ccc(CC(C)N)cc1)C(C)C
InChIInChI=1S/C16H28N2/c1-12(2)11-18(13(3)4)16-8-6-15(7-9-16)10-14(5)17/h6-9,12-14H,10-11,17H2,1-5H3
InChIKeyYBODNLWBTKLLJW-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.45
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-(2-methylpropyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline (CID 63815852) is 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline is CC(C)CN(c1ccc(CC(C)N)cc1)C(C)C.
What is the InChIKey of 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline?
The InChIKey is YBODNLWBTKLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)11-18(13(3)4)16-8-6-15(7-9-16)10-14(5)17/h6-9,12-14H,10-11,17H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline?
4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(2-methylpropyl)-N-propan-2-ylaniline is sourced from PubChem (CID 63815852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).