5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine

C16H21N3 — CID 167152112

IUPAC5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine
SMILESCC(CC(C)c1ccc(N)nc1)c1ccc(N)cc1
InChIInChI=1S/C16H21N3/c1-11(13-3-6-15(17)7-4-13)9-12(2)14-5-8-16(18)19-10-14/h3-8,10-12H,9,17H2,1-2H3,(H2,18,19)
InChIKeyACQLGGDQTCQYEU-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.54
Rot. Bonds4

About 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine

5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine (PubChem CID 167152112) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine
PubChem CID167152112
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine
SMILESCC(CC(C)c1ccc(N)nc1)c1ccc(N)cc1
InChIInChI=1S/C16H21N3/c1-11(13-3-6-15(17)7-4-13)9-12(2)14-5-8-16(18)19-10-14/h3-8,10-12H,9,17H2,1-2H3,(H2,18,19)
InChIKeyACQLGGDQTCQYEU-UHFFFAOYSA-N
XLogP3.54
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine (CID 167152112) is 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine is CC(CC(C)c1ccc(N)nc1)c1ccc(N)cc1.
What is the InChIKey of 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine?
The InChIKey is ACQLGGDQTCQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(13-3-6-15(17)7-4-13)9-12(2)14-5-8-16(18)19-10-14/h3-8,10-12H,9,17H2,1-2H3,(H2,18,19).
What are the key properties of 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine?
5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine is sourced from PubChem (CID 167152112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).