6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine

C24H33N3 — CID 71019280

IUPAC6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine
SMILESNC1=CC(N)CC=C1N1CCC(C(C2=CC=CCC2)C2C=CC=CC2)CC1
InChIInChI=1S/C24H33N3/c25-21-11-12-23(22(26)17-21)27-15-13-20(14-16-27)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-5,7,9,12,17-18,20-21,24H,6,8,10-11,13-16,25-26H2
InChIKeyRVGMUYLWVJFVFW-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.18
Rot. Bonds4

About 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine

6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine (PubChem CID 71019280) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine
PubChem CID71019280
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine
SMILESNC1=CC(N)CC=C1N1CCC(C(C2=CC=CCC2)C2C=CC=CC2)CC1
InChIInChI=1S/C24H33N3/c25-21-11-12-23(22(26)17-21)27-15-13-20(14-16-27)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-5,7,9,12,17-18,20-21,24H,6,8,10-11,13-16,25-26H2
InChIKeyRVGMUYLWVJFVFW-UHFFFAOYSA-N
XLogP4.18
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine (CID 71019280) is 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine is NC1=CC(N)CC=C1N1CCC(C(C2=CC=CCC2)C2C=CC=CC2)CC1.
What is the InChIKey of 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
The InChIKey is RVGMUYLWVJFVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c25-21-11-12-23(22(26)17-21)27-15-13-20(14-16-27)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-5,7,9,12,17-18,20-21,24H,6,8,10-11,13-16,25-26H2.
What are the key properties of 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine?
6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine has a molecular weight of 363.55 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]piperidin-1-yl]cyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 71019280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).