N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C26H30N4 — CID 71026047

IUPACN-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCc1ccc(CNC2CCCc3cccnc32)cc1
InChIInChI=1S/C26H30N4/c1-5-21-7-3-15-27-25(21)23(9-1)29-17-19-11-13-20(14-12-19)18-30-24-10-2-6-22-8-4-16-28-26(22)24/h3-4,7-8,11-16,23-24,29-30H,1-2,5-6,9-10,17-18H2
InChIKeyOLZIGHJOVXIUAK-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.81
Rot. Bonds6

About N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 71026047) has the molecular formula C26H30N4 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID71026047
Molecular FormulaC26H30N4
Molecular Weight398.55 g/mol
Exact Mass398.25
IUPAC NameN-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2NCc1ccc(CNC2CCCc3cccnc32)cc1
InChIInChI=1S/C26H30N4/c1-5-21-7-3-15-27-25(21)23(9-1)29-17-19-11-13-20(14-12-19)18-30-24-10-2-6-22-8-4-16-28-26(22)24/h3-4,7-8,11-16,23-24,29-30H,1-2,5-6,9-10,17-18H2
InChIKeyOLZIGHJOVXIUAK-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-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

(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-[[4-[(1H-pyrazol-5-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142660743
N-[[5-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]pyrazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 74539206
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
N-[[4-(2-methoxyphenyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142661060
N-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114185955
N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide
CID 10133044
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-[(5-methylpyrazin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079632
N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 71050435
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide
CID 71108386

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 71026047) is N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCCC2NCc1ccc(CNC2CCCc3cccnc32)cc1.
What is the InChIKey of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is OLZIGHJOVXIUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4/c1-5-21-7-3-15-27-25(21)23(9-1)29-17-19-11-13-20(14-12-19)18-30-24-10-2-6-22-8-4-16-28-26(22)24/h3-4,7-8,11-16,23-24,29-30H,1-2,5-6,9-10,17-18H2.
What are the key properties of N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 398.55 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 71026047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).