2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine

C19H32N2 — CID 68637576

IUPAC2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine
SMILESCCCC1(C2CCCC2)C=CC(N)C(C2CCCC2)=C1N
InChIInChI=1S/C19H32N2/c1-2-12-19(15-9-5-6-10-15)13-11-16(20)17(18(19)21)14-7-3-4-8-14/h11,13-16H,2-10,12,20-21H2,1H3
InChIKeyMSUYFEPPFHDQEX-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.26
Rot. Bonds4

About 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine

2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine (PubChem CID 68637576) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine.

Molecular Properties

Compound Name2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine
PubChem CID68637576
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine
SMILESCCCC1(C2CCCC2)C=CC(N)C(C2CCCC2)=C1N
InChIInChI=1S/C19H32N2/c1-2-12-19(15-9-5-6-10-15)13-11-16(20)17(18(19)21)14-7-3-4-8-14/h11,13-16H,2-10,12,20-21H2,1H3
InChIKeyMSUYFEPPFHDQEX-UHFFFAOYSA-N
XLogP4.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine?
The IUPAC name of 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine (CID 68637576) is 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine.
What is the SMILES notation for 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine?
The canonical SMILES for 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine is CCCC1(C2CCCC2)C=CC(N)C(C2CCCC2)=C1N.
What is the InChIKey of 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine?
The InChIKey is MSUYFEPPFHDQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-2-12-19(15-9-5-6-10-15)13-11-16(20)17(18(19)21)14-7-3-4-8-14/h11,13-16H,2-10,12,20-21H2,1H3.
What are the key properties of 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine?
2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclopentyl-6-propylcyclohexa-1,4-diene-1,3-diamine is sourced from PubChem (CID 68637576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).