N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine

C16H20BrN3 — CID 114789865

IUPACN-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
SMILESBrCCN(c1ncc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C16H20BrN3/c17-10-11-20(14-7-2-1-3-8-14)16-18-12-13-6-4-5-9-15(13)19-16/h4-6,9,12,14H,1-3,7-8,10-11H2
InChIKeyUIMYCHPZTRJJKU-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.16
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine

N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine (PubChem CID 114789865) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
PubChem CID114789865
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
SMILESBrCCN(c1ncc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C16H20BrN3/c17-10-11-20(14-7-2-1-3-8-14)16-18-12-13-6-4-5-9-15(13)19-16/h4-6,9,12,14H,1-3,7-8,10-11H2
InChIKeyUIMYCHPZTRJJKU-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine (CID 114789865) is N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine is BrCCN(c1ncc2ccccc2n1)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine?
The InChIKey is UIMYCHPZTRJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c17-10-11-20(14-7-2-1-3-8-14)16-18-12-13-6-4-5-9-15(13)19-16/h4-6,9,12,14H,1-3,7-8,10-11H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine?
N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine is sourced from PubChem (CID 114789865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).