4-pentacosan-13-ylpyridin-2-amine

C30H56N2 — CID 68644515

IUPAC4-pentacosan-13-ylpyridin-2-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)c1ccnc(N)c1
InChIInChI=1S/C30H56N2/c1-3-5-7-9-11-13-15-17-19-21-23-28(29-25-26-32-30(31)27-29)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H2,31,32)
InChIKeyHQUVCLBPAWZLHY-UHFFFAOYSA-N
MW444.79 g/mol
LogP10.37
Rot. Bonds23

About 4-pentacosan-13-ylpyridin-2-amine

4-pentacosan-13-ylpyridin-2-amine (PubChem CID 68644515) has the molecular formula C30H56N2 and a molecular weight of 444.79 g/mol. Its IUPAC name is 4-pentacosan-13-ylpyridin-2-amine.

Molecular Properties

Compound Name4-pentacosan-13-ylpyridin-2-amine
PubChem CID68644515
Molecular FormulaC30H56N2
Molecular Weight444.79 g/mol
Exact Mass444.44
IUPAC Name4-pentacosan-13-ylpyridin-2-amine
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)c1ccnc(N)c1
InChIInChI=1S/C30H56N2/c1-3-5-7-9-11-13-15-17-19-21-23-28(29-25-26-32-30(31)27-29)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H2,31,32)
InChIKeyHQUVCLBPAWZLHY-UHFFFAOYSA-N
XLogP10.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.79
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexan-3-ylpyridin-2-amine
CID 139517317
4-[(1R)-1-aminopropyl]pyridin-2-amine
CID 55274349
1-pyridin-4-ylnonan-1-amine
CID 62600271
4-pentylsulfanylpyridin-2-amine
CID 107764997
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
4-[(1R)-1-aminoethyl]pyridin-2-amine
CID 55274055
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
3-tridecan-7-ylpyridine
CID 129119745
(1R)-1-(2-bromo-4-pyridinyl)hexan-1-amine;hydrochloride
CID 171203436
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
(4-dodecan-6-ylphenyl)methanamine
CID 130348260

Frequently Asked Questions

What is the IUPAC name of 4-pentacosan-13-ylpyridin-2-amine?
The IUPAC name of 4-pentacosan-13-ylpyridin-2-amine (CID 68644515) is 4-pentacosan-13-ylpyridin-2-amine.
What is the SMILES notation for 4-pentacosan-13-ylpyridin-2-amine?
The canonical SMILES for 4-pentacosan-13-ylpyridin-2-amine is CCCCCCCCCCCCC(CCCCCCCCCCCC)c1ccnc(N)c1.
What is the InChIKey of 4-pentacosan-13-ylpyridin-2-amine?
The InChIKey is HQUVCLBPAWZLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2/c1-3-5-7-9-11-13-15-17-19-21-23-28(29-25-26-32-30(31)27-29)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H2,31,32).
What are the key properties of 4-pentacosan-13-ylpyridin-2-amine?
4-pentacosan-13-ylpyridin-2-amine has a molecular weight of 444.79 g/mol, XLogP of 10.37, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentacosan-13-ylpyridin-2-amine is sourced from PubChem (CID 68644515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).