4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine

C15H22N4 — CID 107159159

IUPAC4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1nncc2ccccc12
InChIInChI=1S/C15H22N4/c1-15(2,3)8-12(16)10-17-14-13-7-5-4-6-11(13)9-18-19-14/h4-7,9,12H,8,10,16H2,1-3H3,(H,17,19)
InChIKeyCIFGHTINAQGUQC-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.81
Rot. Bonds4

About 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine

4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine (PubChem CID 107159159) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
PubChem CID107159159
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine
SMILESCC(C)(C)CC(N)CNc1nncc2ccccc12
InChIInChI=1S/C15H22N4/c1-15(2,3)8-12(16)10-17-14-13-7-5-4-6-11(13)9-18-19-14/h4-7,9,12H,8,10,16H2,1-3H3,(H,17,19)
InChIKeyCIFGHTINAQGUQC-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine?
The IUPAC name of 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine (CID 107159159) is 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine.
What is the SMILES notation for 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine?
The canonical SMILES for 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine is CC(C)(C)CC(N)CNc1nncc2ccccc12.
What is the InChIKey of 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine?
The InChIKey is CIFGHTINAQGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2,3)8-12(16)10-17-14-13-7-5-4-6-11(13)9-18-19-14/h4-7,9,12H,8,10,16H2,1-3H3,(H,17,19).
What are the key properties of 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine?
4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-N-phthalazin-1-ylpentane-1,2-diamine is sourced from PubChem (CID 107159159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).