4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine

C17H24N4 — CID 121255075

IUPAC4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine
SMILESCc1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C17H24N4/c1-12-4-9-16-15(10-12)17(19-11-18-16)20-13-5-7-14(8-6-13)21(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,18,19,20)
InChIKeyFCWQDAGQQHJEEN-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.22
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine (PubChem CID 121255075) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine
PubChem CID121255075
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine
SMILESCc1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C17H24N4/c1-12-4-9-16-15(10-12)17(19-11-18-16)20-13-5-7-14(8-6-13)21(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,18,19,20)
InChIKeyFCWQDAGQQHJEEN-UHFFFAOYSA-N
XLogP3.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine (CID 121255075) is 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine is Cc1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is FCWQDAGQQHJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-4-9-16-15(10-12)17(19-11-18-16)20-13-5-7-14(8-6-13)21(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(6-methylquinazolin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 121255075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).