N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine

C32H46N4 — CID 142229578

IUPACN,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCCC2CCC(CNCCCCCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C32H46N4/c1-36(2)32-29-17-9-10-18-30(29)34-31(35-32)19-11-8-16-27-20-22-28(23-21-27)25-33-24-12-4-7-15-26-13-5-3-6-14-26/h3,5-6,9-10,13-14,17-18,27-28,33H,4,7-8,11-12,15-16,19-25H2,1-2H3
InChIKeyPQQJSLARDCBHDD-UHFFFAOYSA-N
MW486.75 g/mol
LogP7.22
Rot. Bonds14

About N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine

N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine (PubChem CID 142229578) has the molecular formula C32H46N4 and a molecular weight of 486.75 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
PubChem CID142229578
Molecular FormulaC32H46N4
Molecular Weight486.75 g/mol
Exact Mass486.37
IUPAC NameN,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCCCC2CCC(CNCCCCCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C32H46N4/c1-36(2)32-29-17-9-10-18-30(29)34-31(35-32)19-11-8-16-27-20-22-28(23-21-27)25-33-24-12-4-7-15-26-13-5-3-6-14-26/h3,5-6,9-10,13-14,17-18,27-28,33H,4,7-8,11-12,15-16,19-25H2,1-2H3
InChIKeyPQQJSLARDCBHDD-UHFFFAOYSA-N
XLogP7.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine with MolForge

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Related Compounds

ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
CID 142229131
N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 162599108
2-N-[4-[6-[4-(dimethylamino)phenyl]hexyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142231011
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140
1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
CID 142229142
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]propanamide
CID 142229339
N,N-dimethyl-2-[(E)-3-[4-[4-[2-(trifluoromethoxy)phenyl]butyl]cyclohexyl]prop-2-enyl]quinazolin-4-amine
CID 142229060
N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 142230208
5-cyclopropylpentylbenzene
CID 91089836
2-ethyl-N,N-dimethylquinazolin-4-amine;N-[(5-ethylthiophen-2-yl)methyl]-1-(4-propylcyclohexyl)methanamine
CID 142229693
2-[3-[4-[4-(6-fluoro-3a,7a-dihydro-1H-indol-3-yl)butyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine
CID 142230693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine (CID 142229578) is N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine is CN(C)c1nc(CCCCC2CCC(CNCCCCCc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine?
The InChIKey is PQQJSLARDCBHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N4/c1-36(2)32-29-17-9-10-18-30(29)34-31(35-32)19-11-8-16-27-20-22-28(23-21-27)25-33-24-12-4-7-15-26-13-5-3-6-14-26/h3,5-6,9-10,13-14,17-18,27-28,33H,4,7-8,11-12,15-16,19-25H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine?
N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine has a molecular weight of 486.75 g/mol, XLogP of 7.22, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine is sourced from PubChem (CID 142229578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).