[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine

C15H19N5 — CID 58557594

IUPAC[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2cnc3cnc4[nH]ccc4n23)CC1
InChIInChI=1S/C15H19N5/c16-7-10-1-3-11(4-2-10)13-8-18-14-9-19-15-12(20(13)14)5-6-17-15/h5-6,8-11,17H,1-4,7,16H2
InChIKeyHMEFFIQBDXDHGO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.44
Rot. Bonds2

About [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine

[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine (PubChem CID 58557594) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine
PubChem CID58557594
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine
SMILESNCC1CCC(c2cnc3cnc4[nH]ccc4n23)CC1
InChIInChI=1S/C15H19N5/c16-7-10-1-3-11(4-2-10)13-8-18-14-9-19-15-12(20(13)14)5-6-17-15/h5-6,8-11,17H,1-4,7,16H2
InChIKeyHMEFFIQBDXDHGO-UHFFFAOYSA-N
XLogP2.44
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine (CID 58557594) is [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine is NCC1CCC(c2cnc3cnc4[nH]ccc4n23)CC1.
What is the InChIKey of [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine?
The InChIKey is HMEFFIQBDXDHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-7-10-1-3-11(4-2-10)13-8-18-14-9-19-15-12(20(13)14)5-6-17-15/h5-6,8-11,17H,1-4,7,16H2.
What are the key properties of [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine?
[4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclohexyl]methanamine is sourced from PubChem (CID 58557594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).