2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine

C16H23N5 — CID 43517049

IUPAC2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine
SMILESCC(CN)CN1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C16H23N5/c1-13(10-17)12-20-6-8-21(9-7-20)16-15-5-3-2-4-14(15)11-18-19-16/h2-5,11,13H,6-10,12,17H2,1H3
InChIKeyRBMBOKJRXRQQIV-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.35
Rot. Bonds4

About 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine

2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine (PubChem CID 43517049) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine
PubChem CID43517049
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine
SMILESCC(CN)CN1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C16H23N5/c1-13(10-17)12-20-6-8-21(9-7-20)16-15-5-3-2-4-14(15)11-18-19-16/h2-5,11,13H,6-10,12,17H2,1H3
InChIKeyRBMBOKJRXRQQIV-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine
CID 43517046
2-(4-phthalazin-1-ylpiperazin-1-yl)butanenitrile
CID 63344110
2-(1-phthalazin-1-ylpiperidin-4-yl)ethanamine
CID 62587804
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]phthalazine
CID 80671524
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
1-amino-3-(4-isoquinolin-1-ylpiperazin-1-yl)propan-2-ol
CID 121415522
1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phthalazine
CID 71944102
2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
CID 61312903
N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide
CID 110715643
3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 60871429
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine (CID 43517049) is 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine is CC(CN)CN1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is RBMBOKJRXRQQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(10-17)12-20-6-8-21(9-7-20)16-15-5-3-2-4-14(15)11-18-19-16/h2-5,11,13H,6-10,12,17H2,1H3.
What are the key properties of 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine?
2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-phthalazin-1-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 43517049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).