N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine

C32H50N4 — CID 171352452

IUPACN'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine
SMILESc1cc(-c2ccc(CNCCCNC3CCCCC3)cc2)ccc1CNCCCNC1CCCCC1
InChIInChI=1S/C32H50N4/c1-3-9-31(10-4-1)35-23-7-21-33-25-27-13-17-29(18-14-27)30-19-15-28(16-20-30)26-34-22-8-24-36-32-11-5-2-6-12-32/h13-20,31-36H,1-12,21-26H2
InChIKeyPQFXBEBLUJRZQA-UHFFFAOYSA-N
MW490.78 g/mol
LogP6.16
Rot. Bonds15

About N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine

N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine (PubChem CID 171352452) has the molecular formula C32H50N4 and a molecular weight of 490.78 g/mol. Its IUPAC name is N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine
PubChem CID171352452
Molecular FormulaC32H50N4
Molecular Weight490.78 g/mol
Exact Mass490.40
IUPAC NameN'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine
SMILESc1cc(-c2ccc(CNCCCNC3CCCCC3)cc2)ccc1CNCCCNC1CCCCC1
InChIInChI=1S/C32H50N4/c1-3-9-31(10-4-1)35-23-7-21-33-25-27-13-17-29(18-14-27)30-19-15-28(16-20-30)26-34-22-8-24-36-32-11-5-2-6-12-32/h13-20,31-36H,1-12,21-26H2
InChIKeyPQFXBEBLUJRZQA-UHFFFAOYSA-N
XLogP6.16
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.78
LogP ≤ 56.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine with MolForge

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Related Compounds

N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 113410382
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54810069
N-[[4-[[[4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]-N'-cyclohexylpropane-1,3-diamine
CID 15602979
N-benzyl-N'-cyclobutylethane-1,2-diamine
CID 71627766
N'-cyclohexyl-N-[[4-[[(3,6-dimethyl-3,4-dihydro-1H-pyridin-2-ylidene)amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 137026430
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010
N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 15603169
N'-cyclohexyl-N-[[4-[[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 15602877
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 114024463
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-2-(pyridin-2-ylmethylamino)benzamide
CID 154969306
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine (CID 171352452) is N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine is c1cc(-c2ccc(CNCCCNC3CCCCC3)cc2)ccc1CNCCCNC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine?
The InChIKey is PQFXBEBLUJRZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N4/c1-3-9-31(10-4-1)35-23-7-21-33-25-27-13-17-29(18-14-27)30-19-15-28(16-20-30)26-34-22-8-24-36-32-11-5-2-6-12-32/h13-20,31-36H,1-12,21-26H2.
What are the key properties of N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine?
N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine has a molecular weight of 490.78 g/mol, XLogP of 6.16, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 171352452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).