N-cycloheptyl-6-methylquinazolin-2-amine

C16H21N3 — CID 176973176

IUPACN-cycloheptyl-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(NC3CCCCCC3)ncc2c1
InChIInChI=1S/C16H21N3/c1-12-8-9-15-13(10-12)11-17-16(19-15)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,17,18,19)
InChIKeyHSFHCPLBVBTJEV-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.07
Rot. Bonds2

About N-cycloheptyl-6-methylquinazolin-2-amine

N-cycloheptyl-6-methylquinazolin-2-amine (PubChem CID 176973176) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-cycloheptyl-6-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-methylquinazolin-2-amine
PubChem CID176973176
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-cycloheptyl-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(NC3CCCCCC3)ncc2c1
InChIInChI=1S/C16H21N3/c1-12-8-9-15-13(10-12)11-17-16(19-15)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,17,18,19)
InChIKeyHSFHCPLBVBTJEV-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-methylquinazolin-2-amine?
The IUPAC name of N-cycloheptyl-6-methylquinazolin-2-amine (CID 176973176) is N-cycloheptyl-6-methylquinazolin-2-amine.
What is the SMILES notation for N-cycloheptyl-6-methylquinazolin-2-amine?
The canonical SMILES for N-cycloheptyl-6-methylquinazolin-2-amine is Cc1ccc2nc(NC3CCCCCC3)ncc2c1.
What is the InChIKey of N-cycloheptyl-6-methylquinazolin-2-amine?
The InChIKey is HSFHCPLBVBTJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-8-9-15-13(10-12)11-17-16(19-15)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,17,18,19).
What are the key properties of N-cycloheptyl-6-methylquinazolin-2-amine?
N-cycloheptyl-6-methylquinazolin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-methylquinazolin-2-amine is sourced from PubChem (CID 176973176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).