2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine

C21H35N3 — CID 167588136

IUPAC2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine
SMILESCC(C)CCCC(C)C.CC(C)N(C)c1ncc2ccccc2n1
InChIInChI=1S/C12H15N3.C9H20/c1-9(2)15(3)12-13-8-10-6-4-5-7-11(10)14-12;1-8(2)6-5-7-9(3)4/h4-9H,1-3H3;8-9H,5-7H2,1-4H3
InChIKeyIBJHDZQGNPTFDC-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.94
Rot. Bonds6

About 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine

2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine (PubChem CID 167588136) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine
PubChem CID167588136
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine
SMILESCC(C)CCCC(C)C.CC(C)N(C)c1ncc2ccccc2n1
InChIInChI=1S/C12H15N3.C9H20/c1-9(2)15(3)12-13-8-10-6-4-5-7-11(10)14-12;1-8(2)6-5-7-9(3)4/h4-9H,1-3H3;8-9H,5-7H2,1-4H3
InChIKeyIBJHDZQGNPTFDC-UHFFFAOYSA-N
XLogP5.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine?
The IUPAC name of 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine (CID 167588136) is 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine.
What is the SMILES notation for 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine?
The canonical SMILES for 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine is CC(C)CCCC(C)C.CC(C)N(C)c1ncc2ccccc2n1.
What is the InChIKey of 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine?
The InChIKey is IBJHDZQGNPTFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C9H20/c1-9(2)15(3)12-13-8-10-6-4-5-7-11(10)14-12;1-8(2)6-5-7-9(3)4/h4-9H,1-3H3;8-9H,5-7H2,1-4H3.
What are the key properties of 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine?
2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine has a molecular weight of 329.53 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptane;N-methyl-N-propan-2-ylquinazolin-2-amine is sourced from PubChem (CID 167588136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).