N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine

C30H42N4 — CID 10623776

IUPACN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
SMILESc1ccc2c(NCCCCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C30H42N4/c1(3-5-7-13-21-32-25-19-23-31-24-20-25)2-4-6-8-14-22-33-30-26-15-9-11-17-28(26)34-29-18-12-10-16-27(29)30/h9,11,15,17,19-20,23-24H,1-8,10,12-14,16,18,21-22H2,(H,31,32)(H,33,34)
InChIKeyNGZVYWKVKNGTSQ-UHFFFAOYSA-N
MW458.69 g/mol
LogP7.93
Rot. Bonds15

About N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine

N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine (PubChem CID 10623776) has the molecular formula C30H42N4 and a molecular weight of 458.69 g/mol. Its IUPAC name is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine.

Molecular Properties

Compound NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
PubChem CID10623776
Molecular FormulaC30H42N4
Molecular Weight458.69 g/mol
Exact Mass458.34
IUPAC NameN-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
SMILESc1ccc2c(NCCCCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C30H42N4/c1(3-5-7-13-21-32-25-19-23-31-24-20-25)2-4-6-8-14-22-33-30-26-15-9-11-17-28(26)34-29-18-12-10-16-27(29)30/h9,11,15,17,19-20,23-24H,1-8,10,12-14,16,18,21-22H2,(H,31,32)(H,33,34)
InChIKeyNGZVYWKVKNGTSQ-UHFFFAOYSA-N
XLogP7.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The IUPAC name of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine (CID 10623776) is N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine.
What is the SMILES notation for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The canonical SMILES for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine is c1ccc2c(NCCCCCCCCCCCCNc3ccncc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The InChIKey is NGZVYWKVKNGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4/c1(3-5-7-13-21-32-25-19-23-31-24-20-25)2-4-6-8-14-22-33-30-26-15-9-11-17-28(26)34-29-18-12-10-16-27(29)30/h9,11,15,17,19-20,23-24H,1-8,10,12-14,16,18,21-22H2,(H,31,32)(H,33,34).
What are the key properties of N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine has a molecular weight of 458.69 g/mol, XLogP of 7.93, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine is sourced from PubChem (CID 10623776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).