N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine

C32H52N6 — CID 73296223

IUPACN'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine
SMILESNCCCCNCCCCNCc1c2ccccc2c(CN(CCCCN)CCCCN)c2ccccc12
InChIInChI=1S/C32H52N6/c33-17-5-8-20-36-21-9-10-22-37-25-31-27-13-1-3-15-29(27)32(30-16-4-2-14-28(30)31)26-38(23-11-6-18-34)24-12-7-19-35/h1-4,13-16,36-37H,5-12,17-26,33-35H2
InChIKeyDZKPZRVPHUQIMO-UHFFFAOYSA-N
MW520.81 g/mol
LogP4.47
Rot. Bonds21

About N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine

N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine (PubChem CID 73296223) has the molecular formula C32H52N6 and a molecular weight of 520.81 g/mol. Its IUPAC name is N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine
PubChem CID73296223
Molecular FormulaC32H52N6
Molecular Weight520.81 g/mol
Exact Mass520.43
IUPAC NameN'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine
SMILESNCCCCNCCCCNCc1c2ccccc2c(CN(CCCCN)CCCCN)c2ccccc12
InChIInChI=1S/C32H52N6/c33-17-5-8-20-36-21-9-10-22-37-25-31-27-13-1-3-15-29(27)32(30-16-4-2-14-28(30)31)26-38(23-11-6-18-34)24-12-7-19-35/h1-4,13-16,36-37H,5-12,17-26,33-35H2
InChIKeyDZKPZRVPHUQIMO-UHFFFAOYSA-N
XLogP4.47
TPSA105.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.81
LogP ≤ 54.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine 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

N'-[4-[4-aminobutyl(anthracen-9-ylmethyl)amino]butyl]butane-1,4-diamine;trihydrochloride
CID 11548249
N'-[4-(4-aminobutylamino)butyl]-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine;tetrahydrochloride
CID 22244755
N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
1-N'-(4-aminobutyl)-1-N'-[3-(anthracen-9-ylmethylamino)propyl]butane-1,1-diamine
CID 91070206
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N'-benzylheptane-1,7-diamine
CID 61150072
N'-benzyldodecane-1,12-diamine
CID 10589617
tert-butyl N-[4-[4-aminobutyl(anthracen-9-ylmethyl)amino]butyl]carbamate
CID 11385381
N,N'-bis(3-aminopropyl)-N'-naphthalen-1-ylbutane-1,4-diamine
CID 46896769

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine?
The IUPAC name of N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine (CID 73296223) is N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine.
What is the SMILES notation for N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine?
The canonical SMILES for N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine is NCCCCNCCCCNCc1c2ccccc2c(CN(CCCCN)CCCCN)c2ccccc12.
What is the InChIKey of N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine?
The InChIKey is DZKPZRVPHUQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N6/c33-17-5-8-20-36-21-9-10-22-37-25-31-27-13-1-3-15-29(27)32(30-16-4-2-14-28(30)31)26-38(23-11-6-18-34)24-12-7-19-35/h1-4,13-16,36-37H,5-12,17-26,33-35H2.
What are the key properties of N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine?
N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine has a molecular weight of 520.81 g/mol, XLogP of 4.47, 21 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[10-[[bis(4-aminobutyl)amino]methyl]anthracen-9-yl]methylamino]butyl]butane-1,4-diamine is sourced from PubChem (CID 73296223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).