3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol

C18H25N3O — CID 67363673

IUPAC3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncc3ccccc3n2)CC1(C)C
InChIInChI=1S/C18H25N3O/c1-13-8-9-18(22,11-17(13,2)3)12-20-16-19-10-14-6-4-5-7-15(14)21-16/h4-7,10,13,22H,8-9,11-12H2,1-3H3,(H,19,20,21)
InChIKeyRFXPOTWMGHBBPB-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.62
Rot. Bonds3

About 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol

3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 67363673) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID67363673
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncc3ccccc3n2)CC1(C)C
InChIInChI=1S/C18H25N3O/c1-13-8-9-18(22,11-17(13,2)3)12-20-16-19-10-14-6-4-5-7-15(14)21-16/h4-7,10,13,22H,8-9,11-12H2,1-3H3,(H,19,20,21)
InChIKeyRFXPOTWMGHBBPB-UHFFFAOYSA-N
XLogP3.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
CID 67363200
1-[4-hydroxy-4-[(quinazolin-2-ylamino)methyl]piperidin-1-yl]prop-2-en-1-one
CID 170709572
2-[1-[(quinazolin-2-ylamino)methyl]cyclopropyl]ethanol
CID 114789342
N-[(2-methylcyclopentyl)methyl]quinazolin-2-amine
CID 107419181
[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol
CID 114789059
4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118648
N-(cyclopentylmethyl)quinazolin-2-amine
CID 114788866
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118314
4-[(quinazolin-2-ylamino)methyl]phenol
CID 114789330
N-[1-(aminomethyl)-4-methylcyclohexyl]quinazolin-2-amine
CID 114789938
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N-(2-cyclobutylethyl)quinazolin-2-amine
CID 114789293

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol (CID 67363673) is 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2ncc3ccccc3n2)CC1(C)C.
What is the InChIKey of 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is RFXPOTWMGHBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-8-9-18(22,11-17(13,2)3)12-20-16-19-10-14-6-4-5-7-15(14)21-16/h4-7,10,13,22H,8-9,11-12H2,1-3H3,(H,19,20,21).
What are the key properties of 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol?
3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 299.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-[(quinazolin-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 67363673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).