2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine

C28H34N2 — CID 70573930

IUPAC2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine
SMILESC=CCN(CC=C)C1=CC2=C3C(=CCC4=C3C(C=C(N(CC=C)CC=C)C4)CC2)C1
InChIInChI=1S/C28H34N2/c1-5-13-29(14-6-2)25-17-21-9-11-23-19-26(30(15-7-3)16-8-4)20-24-12-10-22(18-25)27(21)28(23)24/h5-9,18,20,24H,1-4,10-17,19H2
InChIKeySYZYHQLPNNCBKB-UHFFFAOYSA-N
MW398.59 g/mol
LogP6.24
Rot. Bonds10

About 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine (PubChem CID 70573930) has the molecular formula C28H34N2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine
PubChem CID70573930
Molecular FormulaC28H34N2
Molecular Weight398.59 g/mol
Exact Mass398.27
IUPAC Name2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine
SMILESC=CCN(CC=C)C1=CC2=C3C(=CCC4=C3C(C=C(N(CC=C)CC=C)C4)CC2)C1
InChIInChI=1S/C28H34N2/c1-5-13-29(14-6-2)25-17-21-9-11-23-19-26(30(15-7-3)16-8-4)20-24-12-10-22(18-25)27(21)28(23)24/h5-9,18,20,24H,1-4,10-17,19H2
InChIKeySYZYHQLPNNCBKB-UHFFFAOYSA-N
XLogP6.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine (CID 70573930) is 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine is C=CCN(CC=C)C1=CC2=C3C(=CCC4=C3C(C=C(N(CC=C)CC=C)C4)CC2)C1.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine?
The InChIKey is SYZYHQLPNNCBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2/c1-5-13-29(14-6-2)25-17-21-9-11-23-19-26(30(15-7-3)16-8-4)20-24-12-10-22(18-25)27(21)28(23)24/h5-9,18,20,24H,1-4,10-17,19H2.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine has a molecular weight of 398.59 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetrakis(prop-2-enyl)-1,3a,4,5,8,10-hexahydropyrene-2,7-diamine is sourced from PubChem (CID 70573930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).