4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine

C16H22N4 — CID 65283622

IUPAC4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine
SMILESCC1(C)CCCN(c2ncnc3ccc(N)cc23)CC1
InChIInChI=1S/C16H22N4/c1-16(2)6-3-8-20(9-7-16)15-13-10-12(17)4-5-14(13)18-11-19-15/h4-5,10-11H,3,6-9,17H2,1-2H3
InChIKeyTTXLZXKNPLKCPB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.23
Rot. Bonds1

About 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine

4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine (PubChem CID 65283622) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine.

Molecular Properties

Compound Name4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine
PubChem CID65283622
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine
SMILESCC1(C)CCCN(c2ncnc3ccc(N)cc23)CC1
InChIInChI=1S/C16H22N4/c1-16(2)6-3-8-20(9-7-16)15-13-10-12(17)4-5-14(13)18-11-19-15/h4-5,10-11H,3,6-9,17H2,1-2H3
InChIKeyTTXLZXKNPLKCPB-UHFFFAOYSA-N
XLogP3.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
CID 107403605
4-(4-ethylpiperidin-1-yl)quinazolin-6-amine
CID 64589288
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
2-(4,4-dimethylazepan-1-yl)quinolin-6-amine
CID 65283520
1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol
CID 114677655
4-(2,2,6-trimethylmorpholin-4-yl)quinazolin-6-amine
CID 64590100
4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320
9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.6]undecane
CID 167828850
6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 80823749
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-6-amine
CID 64586865
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine?
The IUPAC name of 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine (CID 65283622) is 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine.
What is the SMILES notation for 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine?
The canonical SMILES for 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine is CC1(C)CCCN(c2ncnc3ccc(N)cc23)CC1.
What is the InChIKey of 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine?
The InChIKey is TTXLZXKNPLKCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2)6-3-8-20(9-7-16)15-13-10-12(17)4-5-14(13)18-11-19-15/h4-5,10-11H,3,6-9,17H2,1-2H3.
What are the key properties of 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine?
4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine has a molecular weight of 270.38 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine is sourced from PubChem (CID 65283622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).