[4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine

C26H32N6 — CID 150683399

IUPAC[4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine
SMILESNCc1ccc(C2CCCN2c2cncc(N3CCCC3c3ccc(CN)cc3)n2)cc1
InChIInChI=1S/C26H32N6/c27-15-19-5-9-21(10-6-19)23-3-1-13-31(23)25-17-29-18-26(30-25)32-14-2-4-24(32)22-11-7-20(16-28)8-12-22/h5-12,17-18,23-24H,1-4,13-16,27-28H2
InChIKeyJIIRYUOQHXMSBG-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.08
Rot. Bonds6

About [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine

[4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine (PubChem CID 150683399) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine
PubChem CID150683399
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC Name[4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine
SMILESNCc1ccc(C2CCCN2c2cncc(N3CCCC3c3ccc(CN)cc3)n2)cc1
InChIInChI=1S/C26H32N6/c27-15-19-5-9-21(10-6-19)23-3-1-13-31(23)25-17-29-18-26(30-25)32-14-2-4-24(32)22-11-7-20(16-28)8-12-22/h5-12,17-18,23-24H,1-4,13-16,27-28H2
InChIKeyJIIRYUOQHXMSBG-UHFFFAOYSA-N
XLogP4.08
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine (CID 150683399) is [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine is NCc1ccc(C2CCCN2c2cncc(N3CCCC3c3ccc(CN)cc3)n2)cc1.
What is the InChIKey of [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine?
The InChIKey is JIIRYUOQHXMSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6/c27-15-19-5-9-21(10-6-19)23-3-1-13-31(23)25-17-29-18-26(30-25)32-14-2-4-24(32)22-11-7-20(16-28)8-12-22/h5-12,17-18,23-24H,1-4,13-16,27-28H2.
What are the key properties of [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine?
[4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine has a molecular weight of 428.58 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[6-[2-[4-(aminomethyl)phenyl]pyrrolidin-1-yl]pyrazin-2-yl]pyrrolidin-2-yl]phenyl]methanamine is sourced from PubChem (CID 150683399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).