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

C31H43N3 — CID 46889316

IUPACN-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
SMILESc1ccc(NCCCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C31H43N3/c1(3-5-7-16-24-32-26-18-10-9-11-19-26)2-4-6-8-17-25-33-31-27-20-12-14-22-29(27)34-30-23-15-13-21-28(30)31/h9-12,14,18-20,22,32H,1-8,13,15-17,21,23-25H2,(H,33,34)
InChIKeyRSFASIHHCGSKEP-UHFFFAOYSA-N
MW457.71 g/mol
LogP8.54
Rot. Bonds15

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

N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine (PubChem CID 46889316) has the molecular formula C31H43N3 and a molecular weight of 457.71 g/mol. Its IUPAC name is N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine.

Molecular Properties

Compound NameN-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
PubChem CID46889316
Molecular FormulaC31H43N3
Molecular Weight457.71 g/mol
Exact Mass457.35
IUPAC NameN-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
SMILESc1ccc(NCCCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C31H43N3/c1(3-5-7-16-24-32-26-18-10-9-11-19-26)2-4-6-8-17-25-33-31-27-20-12-14-22-29(27)34-30-23-15-13-21-28(30)31/h9-12,14,18-20,22,32H,1-8,13,15-17,21,23-25H2,(H,33,34)
InChIKeyRSFASIHHCGSKEP-UHFFFAOYSA-N
XLogP8.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.71
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 10623776
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 11743869
2-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol
CID 71460116
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45262034

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The IUPAC name of N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine (CID 46889316) is N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine.
What is the SMILES notation for N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The canonical SMILES for N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine is c1ccc(NCCCCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
The InChIKey is RSFASIHHCGSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3/c1(3-5-7-16-24-32-26-18-10-9-11-19-26)2-4-6-8-17-25-33-31-27-20-12-14-22-29(27)34-30-23-15-13-21-28(30)31/h9-12,14,18-20,22,32H,1-8,13,15-17,21,23-25H2,(H,33,34).
What are the key properties of N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine?
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine has a molecular weight of 457.71 g/mol, XLogP of 8.54, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine is sourced from PubChem (CID 46889316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).