N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine

C25H37N5 — CID 135475774

IUPACN'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine
SMILESCN(c1ccccc1)C1c2ccccc2N/C(=N\CCCNCCCCN)C1(C)C
InChIInChI=1S/C25H37N5/c1-25(2)23(30(3)20-12-5-4-6-13-20)21-14-7-8-15-22(21)29-24(25)28-19-11-18-27-17-10-9-16-26/h4-8,12-15,23,27H,9-11,16-19,26H2,1-3H3,(H,28,29)
InChIKeyXVFOHFNGVCYGLB-UHFFFAOYSA-N
MW407.61 g/mol
LogP4.43
Rot. Bonds10

About N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine

N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine (PubChem CID 135475774) has the molecular formula C25H37N5 and a molecular weight of 407.61 g/mol. Its IUPAC name is N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine
PubChem CID135475774
Molecular FormulaC25H37N5
Molecular Weight407.61 g/mol
Exact Mass407.30
IUPAC NameN'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine
SMILESCN(c1ccccc1)C1c2ccccc2N/C(=N\CCCNCCCCN)C1(C)C
InChIInChI=1S/C25H37N5/c1-25(2)23(30(3)20-12-5-4-6-13-20)21-14-7-8-15-22(21)29-24(25)28-19-11-18-27-17-10-9-16-26/h4-8,12-15,23,27H,9-11,16-19,26H2,1-3H3,(H,28,29)
InChIKeyXVFOHFNGVCYGLB-UHFFFAOYSA-N
XLogP4.43
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]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

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine?
The IUPAC name of N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine (CID 135475774) is N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine is CN(c1ccccc1)C1c2ccccc2N/C(=N\CCCNCCCCN)C1(C)C.
What is the InChIKey of N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine?
The InChIKey is XVFOHFNGVCYGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5/c1-25(2)23(30(3)20-12-5-4-6-13-20)21-14-7-8-15-22(21)29-24(25)28-19-11-18-27-17-10-9-16-26/h4-8,12-15,23,27H,9-11,16-19,26H2,1-3H3,(H,28,29).
What are the key properties of N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine?
N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine has a molecular weight of 407.61 g/mol, XLogP of 4.43, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[3,3-dimethyl-4-(N-methylanilino)-1,4-dihydroquinolin-2-ylidene]amino]propyl]butane-1,4-diamine is sourced from PubChem (CID 135475774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).