ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine

C24H39N3 — CID 142229131

IUPACethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
SMILESCC.CCC1CCC(CCCCc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C22H33N3.C2H6/c1-4-17-13-15-18(16-14-17)9-5-8-12-21-23-20-11-7-6-10-19(20)22(24-21)25(2)3;1-2/h6-7,10-11,17-18H,4-5,8-9,12-16H2,1-3H3;1-2H3
InChIKeyZDABHYCABFHAIP-UHFFFAOYSA-N
MW369.60 g/mol
LogP6.65
Rot. Bonds7

About ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine

ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine (PubChem CID 142229131) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Nameethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
PubChem CID142229131
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC Nameethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine
SMILESCC.CCC1CCC(CCCCc2nc(N(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C22H33N3.C2H6/c1-4-17-13-15-18(16-14-17)9-5-8-12-21-23-20-11-7-6-10-19(20)22(24-21)25(2)3;1-2/h6-7,10-11,17-18H,4-5,8-9,12-16H2,1-3H3;1-2H3
InChIKeyZDABHYCABFHAIP-UHFFFAOYSA-N
XLogP6.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[4-[4-[(5-phenylpentylamino)methyl]cyclohexyl]butyl]quinazolin-4-amine
CID 142229578
N,N-dimethyl-2-[(E)-3-[4-[4-[2-(trifluoromethoxy)phenyl]butyl]cyclohexyl]prop-2-enyl]quinazolin-4-amine
CID 142229060
1-acetyl-N-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]piperidine-4-carboxamide
CID 142229142
2-[3-[4-[4-(6-fluoro-3a,7a-dihydro-1H-indol-3-yl)butyl]cyclohexyl]propyl]-N,N-dimethylquinazolin-4-amine
CID 142230693
2-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]-N,N-dimethylquinazolin-4-amine
CID 142230059
N,N-dimethyl-2-[3-[4-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 162599108
N,N-dimethyl-2-[3-[4-[(quinolin-8-ylmethylamino)methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142228277
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
2-N-[4-[6-[4-(dimethylamino)phenyl]hexyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142231011
N,N-dimethyl-2-[3-[2-(pyridin-2-ylmethylamino)spiro[2.5]octan-6-yl]propyl]quinazolin-4-amine
CID 142229280
1-[2-[[4-[3-[4-(dimethylamino)quinazolin-2-yl]propyl]cyclohexyl]methyl]cyclopropyl]-2-(2-iodophenyl)ethanone
CID 142229933
N,N-dimethyl-2-[3-[4-[[(2-methyl-5-phenylfuran-3-yl)methylamino]methyl]cyclohexyl]propyl]quinazolin-4-amine
CID 142231140

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine (CID 142229131) is ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine is CC.CCC1CCC(CCCCc2nc(N(C)C)c3ccccc3n2)CC1.
What is the InChIKey of ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is ZDABHYCABFHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3.C2H6/c1-4-17-13-15-18(16-14-17)9-5-8-12-21-23-20-11-7-6-10-19(20)22(24-21)25(2)3;1-2/h6-7,10-11,17-18H,4-5,8-9,12-16H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine?
ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 369.60 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(4-ethylcyclohexyl)butyl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 142229131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).