5-methylcyclohexa-1,3-diene-1,3,5-triamine

C7H13N3 — CID 70542513

IUPAC5-methylcyclohexa-1,3-diene-1,3,5-triamine
SMILESCC1(N)C=C(N)C=C(N)C1
InChIInChI=1S/C7H13N3/c1-7(10)3-5(8)2-6(9)4-7/h2-3H,4,8-10H2,1H3
InChIKeyPDOKDVSVSMBFFJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.21
Rot. Bonds

About 5-methylcyclohexa-1,3-diene-1,3,5-triamine

5-methylcyclohexa-1,3-diene-1,3,5-triamine (PubChem CID 70542513) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methylcyclohexa-1,3-diene-1,3,5-triamine.

Molecular Properties

Compound Name5-methylcyclohexa-1,3-diene-1,3,5-triamine
PubChem CID70542513
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-methylcyclohexa-1,3-diene-1,3,5-triamine
SMILESCC1(N)C=C(N)C=C(N)C1
InChIInChI=1S/C7H13N3/c1-7(10)3-5(8)2-6(9)4-7/h2-3H,4,8-10H2,1H3
InChIKeyPDOKDVSVSMBFFJ-UHFFFAOYSA-N
XLogP-0.21
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
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 5-methylcyclohexa-1,3-diene-1,3,5-triamine?
The IUPAC name of 5-methylcyclohexa-1,3-diene-1,3,5-triamine (CID 70542513) is 5-methylcyclohexa-1,3-diene-1,3,5-triamine.
What is the SMILES notation for 5-methylcyclohexa-1,3-diene-1,3,5-triamine?
The canonical SMILES for 5-methylcyclohexa-1,3-diene-1,3,5-triamine is CC1(N)C=C(N)C=C(N)C1.
What is the InChIKey of 5-methylcyclohexa-1,3-diene-1,3,5-triamine?
The InChIKey is PDOKDVSVSMBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(10)3-5(8)2-6(9)4-7/h2-3H,4,8-10H2,1H3.
What are the key properties of 5-methylcyclohexa-1,3-diene-1,3,5-triamine?
5-methylcyclohexa-1,3-diene-1,3,5-triamine has a molecular weight of 139.20 g/mol, XLogP of -0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclohexa-1,3-diene-1,3,5-triamine is sourced from PubChem (CID 70542513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).