3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine

C16H24N2O — CID 157147565

IUPAC3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine
SMILESNCCC(OC(CCN)C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H24N2O/c17-11-9-15(13-5-1-2-6-13)19-16(10-12-18)14-7-3-4-8-14/h1-5,7,15-16H,6,8-12,17-18H2
InChIKeyYFJVUAYYEGIMRX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds8

About 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine

3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine (PubChem CID 157147565) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine
PubChem CID157147565
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine
SMILESNCCC(OC(CCN)C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H24N2O/c17-11-9-15(13-5-1-2-6-13)19-16(10-12-18)14-7-3-4-8-14/h1-5,7,15-16H,6,8-12,17-18H2
InChIKeyYFJVUAYYEGIMRX-UHFFFAOYSA-N
XLogP2.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
The IUPAC name of 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine (CID 157147565) is 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine.
What is the SMILES notation for 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
The canonical SMILES for 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine is NCCC(OC(CCN)C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
The InChIKey is YFJVUAYYEGIMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-11-9-15(13-5-1-2-6-13)19-16(10-12-18)14-7-3-4-8-14/h1-5,7,15-16H,6,8-12,17-18H2.
What are the key properties of 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-cyclopenta-1,3-dien-1-ylpropoxy)-3-cyclopenta-1,3-dien-1-ylpropan-1-amine is sourced from PubChem (CID 157147565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).