1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine

C31H41N5 — CID 142229295

IUPAC1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCCCC1CCC(CNCc2ccnc3ccccc23)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C20H28N2.C11H13N3/c1-2-5-16-8-10-17(11-9-16)14-21-15-18-12-13-22-20-7-4-3-6-19(18)20;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-4,6-7,12-13,16-17,21H,2,5,8-11,14-15H2,1H3;4-7H,1-3H3
InChIKeySVLYWCROSGCUGS-UHFFFAOYSA-N
MW483.70 g/mol
LogP6.94
Rot. Bonds7

About 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine

1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142229295) has the molecular formula C31H41N5 and a molecular weight of 483.70 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
PubChem CID142229295
Molecular FormulaC31H41N5
Molecular Weight483.70 g/mol
Exact Mass483.34
IUPAC Name1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
SMILESCCCC1CCC(CNCc2ccnc3ccccc23)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C20H28N2.C11H13N3/c1-2-5-16-8-10-17(11-9-16)14-21-15-18-12-13-22-20-7-4-3-6-19(18)20;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-4,6-7,12-13,16-17,21H,2,5,8-11,14-15H2,1H3;4-7H,1-3H3
InChIKeySVLYWCROSGCUGS-UHFFFAOYSA-N
XLogP6.94
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine (CID 142229295) is 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine is CCCC1CCC(CNCc2ccnc3ccccc23)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is SVLYWCROSGCUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.C11H13N3/c1-2-5-16-8-10-17(11-9-16)14-21-15-18-12-13-22-20-7-4-3-6-19(18)20;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h3-4,6-7,12-13,16-17,21H,2,5,8-11,14-15H2,1H3;4-7H,1-3H3.
What are the key properties of 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine?
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 483.70 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142229295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).