4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine

C19H28N4 — CID 121255069

IUPAC4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C19H28N4/c1-13(2)14-5-10-18-17(11-14)19(21-12-20-18)22-15-6-8-16(9-7-15)23(3)4/h5,10-13,15-16H,6-9H2,1-4H3,(H,20,21,22)
InChIKeyNVCNSCNNTAXPPA-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.04
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine (PubChem CID 121255069) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine
PubChem CID121255069
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C19H28N4/c1-13(2)14-5-10-18-17(11-14)19(21-12-20-18)22-15-6-8-16(9-7-15)23(3)4/h5,10-13,15-16H,6-9H2,1-4H3,(H,20,21,22)
InChIKeyNVCNSCNNTAXPPA-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine (CID 121255069) is 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine is CC(C)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is NVCNSCNNTAXPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-13(2)14-5-10-18-17(11-14)19(21-12-20-18)22-15-6-8-16(9-7-15)23(3)4/h5,10-13,15-16H,6-9H2,1-4H3,(H,20,21,22).
What are the key properties of 4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-(6-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 4.04, 4 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-propan-2-ylquinazolin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 121255069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).