1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine

C8H15N3 — CID 175279071

IUPAC1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine
SMILESCNC1=CC=C(NC)C1NC
InChIInChI=1S/C8H15N3/c1-9-6-4-5-7(10-2)8(6)11-3/h4-5,8-11H,1-3H3
InChIKeyVDPSUQPAGOANRR-UHFFFAOYSA-N
MW153.23 g/mol
LogP-0.21
Rot. Bonds3

About 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine

1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine (PubChem CID 175279071) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine.

Molecular Properties

Compound Name1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine
PubChem CID175279071
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine
SMILESCNC1=CC=C(NC)C1NC
InChIInChI=1S/C8H15N3/c1-9-6-4-5-7(10-2)8(6)11-3/h4-5,8-11H,1-3H3
InChIKeyVDPSUQPAGOANRR-UHFFFAOYSA-N
XLogP-0.21
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine?
The IUPAC name of 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine (CID 175279071) is 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine.
What is the SMILES notation for 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine?
The canonical SMILES for 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine is CNC1=CC=C(NC)C1NC.
What is the InChIKey of 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine?
The InChIKey is VDPSUQPAGOANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-9-6-4-5-7(10-2)8(6)11-3/h4-5,8-11H,1-3H3.
What are the key properties of 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine?
1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine has a molecular weight of 153.23 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N-trimethylcyclopenta-3,5-diene-1,2,3-triamine is sourced from PubChem (CID 175279071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).