N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine

C35H55N3O2 — CID 88785633

IUPACN-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc2cc3ccc(OCCCN(CCCC)CCCC)cc3nc2c1
InChIInChI=1S/C35H55N3O2/c1-5-9-19-37(20-10-6-2)23-13-25-39-32-17-15-30-27-31-16-18-33(29-35(31)36-34(30)28-32)40-26-14-24-38(21-11-7-3)22-12-8-4/h15-18,27-29H,5-14,19-26H2,1-4H3
InChIKeyNTMYVKASWWXDGY-UHFFFAOYSA-N
MW549.84 g/mol
LogP8.73
Rot. Bonds22

About N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine

N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine (PubChem CID 88785633) has the molecular formula C35H55N3O2 and a molecular weight of 549.84 g/mol. Its IUPAC name is N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
PubChem CID88785633
Molecular FormulaC35H55N3O2
Molecular Weight549.84 g/mol
Exact Mass549.43
IUPAC NameN-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine
SMILESCCCCN(CCCC)CCCOc1ccc2cc3ccc(OCCCN(CCCC)CCCC)cc3nc2c1
InChIInChI=1S/C35H55N3O2/c1-5-9-19-37(20-10-6-2)23-13-25-39-32-17-15-30-27-31-16-18-33(29-35(31)36-34(30)28-32)40-26-14-24-38(21-11-7-3)22-12-8-4/h15-18,27-29H,5-14,19-26H2,1-4H3
InChIKeyNTMYVKASWWXDGY-UHFFFAOYSA-N
XLogP8.73
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.84
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hexoxyacridine
CID 141299786
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;zinc;hydrochloride
CID 88751722
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
N-methyl-3-[6-[3-(methylamino)propoxy]acridin-3-yl]oxypropan-1-amine;hydrate;hydrochloride
CID 45260080
N-methyl-2-[6-[2-(methylamino)ethoxy]acridin-3-yl]oxyethanamine;trihydrochloride
CID 20553444
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrochloride
CID 88770124
11,34-dihexoxy-49,50,53,58,61,64-hexazatridecacyclo[39.5.3.318,24.25,8.214,17.228,31.237,40.14,47.19,13.132,36.044,48.127,56.021,57]tetrahexaconta-1(47),2,4(50),5(63),6,8(62),9,11,13(61),14(60),15,17(59),18(58),19,21(57),22,24(56),25,27(64),28,30,32(53),33,35,37,39,41(49),42,44(48),45,51,54-dotriacontaene
CID 101466175
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
2-[6-(2-aminoethoxy)acridin-3-yl]oxyethanamine;hydrate;hydrochloride
CID 45260071
N-butyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10006046
1-[6-[2-(dimethylamino)propoxy]acridin-3-yl]oxy-N,N-dimethylpropan-2-amine;iron
CID 88751664

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine (CID 88785633) is N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine is CCCCN(CCCC)CCCOc1ccc2cc3ccc(OCCCN(CCCC)CCCC)cc3nc2c1.
What is the InChIKey of N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine?
The InChIKey is NTMYVKASWWXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H55N3O2/c1-5-9-19-37(20-10-6-2)23-13-25-39-32-17-15-30-27-31-16-18-33(29-35(31)36-34(30)28-32)40-26-14-24-38(21-11-7-3)22-12-8-4/h15-18,27-29H,5-14,19-26H2,1-4H3.
What are the key properties of N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine?
N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine has a molecular weight of 549.84 g/mol, XLogP of 8.73, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-[6-[3-(dibutylamino)propoxy]acridin-3-yl]oxypropyl]butan-1-amine is sourced from PubChem (CID 88785633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).