1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine

C15H22N4 — CID 114789544

IUPAC1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1ncc2ccccc2n1
InChIInChI=1S/C15H22N4/c1-11(2)13(16)8-9-19(3)15-17-10-12-6-4-5-7-14(12)18-15/h4-7,10-11,13H,8-9,16H2,1-3H3
InChIKeyJVLNDRKZOZXMEO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.44
Rot. Bonds5

About 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine

1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine (PubChem CID 114789544) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine
PubChem CID114789544
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1ncc2ccccc2n1
InChIInChI=1S/C15H22N4/c1-11(2)13(16)8-9-19(3)15-17-10-12-6-4-5-7-14(12)18-15/h4-7,10-11,13H,8-9,16H2,1-3H3
InChIKeyJVLNDRKZOZXMEO-UHFFFAOYSA-N
XLogP2.44
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine (CID 114789544) is 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine is CC(C)C(N)CCN(C)c1ncc2ccccc2n1.
What is the InChIKey of 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine?
The InChIKey is JVLNDRKZOZXMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)13(16)8-9-19(3)15-17-10-12-6-4-5-7-14(12)18-15/h4-7,10-11,13H,8-9,16H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine?
1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine is sourced from PubChem (CID 114789544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).