N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine

C30H34N4 — CID 15490813

IUPACN,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
SMILESc1ccc2c(NCCCCCCNc3c4c(nc5ccccc35)CCC4)c3c(nc2c1)CCC3
InChIInChI=1S/C30H34N4/c1(7-19-31-29-21-11-3-5-15-25(21)33-27-17-9-13-23(27)29)2-8-20-32-30-22-12-4-6-16-26(22)34-28-18-10-14-24(28)30/h3-6,11-12,15-16H,1-2,7-10,13-14,17-20H2,(H,31,33)(H,32,34)
InChIKeyOTTDOZLQGARJRG-UHFFFAOYSA-N
MW450.63 g/mol
LogP6.84
Rot. Bonds9

About N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine

N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine (PubChem CID 15490813) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
PubChem CID15490813
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC NameN,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
SMILESc1ccc2c(NCCCCCCNc3c4c(nc5ccccc35)CCC4)c3c(nc2c1)CCC3
InChIInChI=1S/C30H34N4/c1(7-19-31-29-21-11-3-5-15-25(21)33-27-17-9-13-23(27)29)2-8-20-32-30-22-12-4-6-16-26(22)34-28-18-10-14-24(28)30/h3-6,11-12,15-16H,1-2,7-10,13-14,17-20H2,(H,31,33)(H,32,34)
InChIKeyOTTDOZLQGARJRG-UHFFFAOYSA-N
XLogP6.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 56.84
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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Related Compounds

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
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
N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 10623776
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432404
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 11743869
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine (CID 15490813) is N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine is c1ccc2c(NCCCCCCNc3c4c(nc5ccccc35)CCC4)c3c(nc2c1)CCC3.
What is the InChIKey of N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine?
The InChIKey is OTTDOZLQGARJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1(7-19-31-29-21-11-3-5-15-25(21)33-27-17-9-13-23(27)29)2-8-20-32-30-22-12-4-6-16-26(22)34-28-18-10-14-24(28)30/h3-6,11-12,15-16H,1-2,7-10,13-14,17-20H2,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine?
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine has a molecular weight of 450.63 g/mol, XLogP of 6.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine is sourced from PubChem (CID 15490813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).