2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine

C13H25N3 — CID 70586485

IUPAC2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine
SMILESCCCN(CCC)C1=CC=C(N)CC1(C)N
InChIInChI=1S/C13H25N3/c1-4-8-16(9-5-2)12-7-6-11(14)10-13(12,3)15/h6-7H,4-5,8-10,14-15H2,1-3H3
InChIKeyFVJCURLSLPMUGP-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine

2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine (PubChem CID 70586485) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine.

Molecular Properties

Compound Name2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine
PubChem CID70586485
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine
SMILESCCCN(CCC)C1=CC=C(N)CC1(C)N
InChIInChI=1S/C13H25N3/c1-4-8-16(9-5-2)12-7-6-11(14)10-13(12,3)15/h6-7H,4-5,8-10,14-15H2,1-3H3
InChIKeyFVJCURLSLPMUGP-UHFFFAOYSA-N
XLogP1.96
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine?
The IUPAC name of 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine (CID 70586485) is 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine.
What is the SMILES notation for 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine?
The canonical SMILES for 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine is CCCN(CCC)C1=CC=C(N)CC1(C)N.
What is the InChIKey of 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine?
The InChIKey is FVJCURLSLPMUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-8-16(9-5-2)12-7-6-11(14)10-13(12,3)15/h6-7H,4-5,8-10,14-15H2,1-3H3.
What are the key properties of 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine?
2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine has a molecular weight of 223.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N,1-N-dipropylcyclohexa-4,6-diene-1,2,4-triamine is sourced from PubChem (CID 70586485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).