3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine

C16H23N5 — CID 43517046

IUPAC3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine
SMILESNCCCN1CCCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C16H23N5/c17-7-3-8-20-9-4-10-21(12-11-20)16-15-6-2-1-5-14(15)13-18-19-16/h1-2,5-6,13H,3-4,7-12,17H2
InChIKeyGAILMOJIOZFTSV-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.49
Rot. Bonds4

About 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine

3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine (PubChem CID 43517046) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine
PubChem CID43517046
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine
SMILESNCCCN1CCCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C16H23N5/c17-7-3-8-20-9-4-10-21(12-11-20)16-15-6-2-1-5-14(15)13-18-19-16/h1-2,5-6,13H,3-4,7-12,17H2
InChIKeyGAILMOJIOZFTSV-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine?
The IUPAC name of 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine (CID 43517046) is 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine is NCCCN1CCCN(c2nncc3ccccc23)CC1.
What is the InChIKey of 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine?
The InChIKey is GAILMOJIOZFTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c17-7-3-8-20-9-4-10-21(12-11-20)16-15-6-2-1-5-14(15)13-18-19-16/h1-2,5-6,13H,3-4,7-12,17H2.
What are the key properties of 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine?
3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phthalazin-1-yl-1,4-diazepan-1-yl)propan-1-amine is sourced from PubChem (CID 43517046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).