N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine

C30H39N3O — CID 11826604

IUPACN-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C30H39N3O/c1-6-20-33(21-7-1)22-9-23-34-25-17-15-24(16-18-25)10-8-19-31-30-26-11-2-4-13-28(26)32-29-14-5-3-12-27(29)30/h2,4,11,13,15-18H,1,3,5-10,12,14,19-23H2,(H,31,32)
InChIKeyRUKMQESGYBPCTL-UHFFFAOYSA-N
MW457.66 g/mol
LogP6.41
Rot. Bonds10

About N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 11826604) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID11826604
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC NameN-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESc1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3
InChIInChI=1S/C30H39N3O/c1-6-20-33(21-7-1)22-9-23-34-25-17-15-24(16-18-25)10-8-19-31-30-26-11-2-4-13-28(26)32-29-14-5-3-12-27(29)30/h2,4,11,13,15-18H,1,3,5-10,12,14,19-23H2,(H,31,32)
InChIKeyRUKMQESGYBPCTL-UHFFFAOYSA-N
XLogP6.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol
CID 67618555
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one
CID 118734725
5-hydroxy-7-[3-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]propoxy]chromen-4-one
CID 73357092
4-phenyl-7-[2-[4-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperazin-1-yl]ethoxy]chromen-2-one
CID 118734708
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
N-[4-[4-(1,3-benzoxazol-2-yl)phenoxy]butyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 70685526
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-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 11826604) is N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3.
What is the InChIKey of N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is RUKMQESGYBPCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O/c1-6-20-33(21-7-1)22-9-23-34-25-17-15-24(16-18-25)10-8-19-31-30-26-11-2-4-13-28(26)32-29-14-5-3-12-27(29)30/h2,4,11,13,15-18H,1,3,5-10,12,14,19-23H2,(H,31,32).
What are the key properties of N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 457.66 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 11826604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).