N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine

C28H46N4 — CID 13408472

IUPACN-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine
SMILESCCCCCCCN=c1ccn(CCCCn2ccc(=NCCCCCCC)cc2)cc1
InChIInChI=1S/C28H46N4/c1-3-5-7-9-11-19-29-27-15-23-31(24-16-27)21-13-14-22-32-25-17-28(18-26-32)30-20-12-10-8-6-4-2/h15-18,23-26H,3-14,19-22H2,1-2H3
InChIKeyCKXVRXRKPMBTRT-UHFFFAOYSA-N
MW438.70 g/mol
LogP6.51
Rot. Bonds17

About N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine

N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine (PubChem CID 13408472) has the molecular formula C28H46N4 and a molecular weight of 438.70 g/mol. Its IUPAC name is N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine.

Molecular Properties

Compound NameN-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine
PubChem CID13408472
Molecular FormulaC28H46N4
Molecular Weight438.70 g/mol
Exact Mass438.37
IUPAC NameN-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine
SMILESCCCCCCCN=c1ccn(CCCCn2ccc(=NCCCCCCC)cc2)cc1
InChIInChI=1S/C28H46N4/c1-3-5-7-9-11-19-29-27-15-23-31(24-16-27)21-13-14-22-32-25-17-28(18-26-32)30-20-12-10-8-6-4-2/h15-18,23-26H,3-14,19-22H2,1-2H3
InChIKeyCKXVRXRKPMBTRT-UHFFFAOYSA-N
XLogP6.51
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,1-di(nonyl)pyridin-4-imine
CID 14198651
N-decyl-1-[12-(4-decylimino-1-pyridinyl)dodecyl]pyridin-4-imine
CID 13408540
N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine dichloride
CID 170923435
methane;N-octyl-1-[10-[4-(octylamino)pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-amine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine
CID 160679501
1-[10-(4-imino-6-octyl-2,3-dihydropyridin-1-yl)decyl]-N-octylpyridin-4-imine
CID 123992192
1-decylpyridin-4-imine
CID 534503
1-heptadecylpyrrole
CID 23344128
1-docosylpyrrole
CID 23344131
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);dihydrochloride
CID 173305876
1-pentylpyrrole;propane
CID 174972146
1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838
(1-heptylpyrrol-3-yl)methanol
CID 66399953

Frequently Asked Questions

What is the IUPAC name of N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine?
The IUPAC name of N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine (CID 13408472) is N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine.
What is the SMILES notation for N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine?
The canonical SMILES for N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine is CCCCCCCN=c1ccn(CCCCn2ccc(=NCCCCCCC)cc2)cc1.
What is the InChIKey of N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine?
The InChIKey is CKXVRXRKPMBTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N4/c1-3-5-7-9-11-19-29-27-15-23-31(24-16-27)21-13-14-22-32-25-17-28(18-26-32)30-20-12-10-8-6-4-2/h15-18,23-26H,3-14,19-22H2,1-2H3.
What are the key properties of N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine?
N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine has a molecular weight of 438.70 g/mol, XLogP of 6.51, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-1-[4-(4-heptylimino-1-pyridinyl)butyl]pyridin-4-imine is sourced from PubChem (CID 13408472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).