[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride

C15H30Cl3N3 — CID 71310676

IUPAC[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride
SMILESCCc1c(CN)c(CC)c(CN)c(CC)c1CN.Cl.Cl.Cl
InChIInChI=1S/C15H27N3.3ClH/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17;;;/h4-9,16-18H2,1-3H3;3*1H
InChIKeyANVPKDSNTWAVCX-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.02
Rot. Bonds6

About [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride

[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride (PubChem CID 71310676) has the molecular formula C15H30Cl3N3 and a molecular weight of 358.79 g/mol. Its IUPAC name is [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride.

Molecular Properties

Compound Name[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride
PubChem CID71310676
Molecular FormulaC15H30Cl3N3
Molecular Weight358.79 g/mol
Exact Mass357.15
IUPAC Name[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride
SMILESCCc1c(CN)c(CC)c(CN)c(CC)c1CN.Cl.Cl.Cl
InChIInChI=1S/C15H27N3.3ClH/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17;;;/h4-9,16-18H2,1-3H3;3*1H
InChIKeyANVPKDSNTWAVCX-UHFFFAOYSA-N
XLogP3.02
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride?
The IUPAC name of [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride (CID 71310676) is [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride.
What is the SMILES notation for [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride?
The canonical SMILES for [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride is CCc1c(CN)c(CC)c(CN)c(CC)c1CN.Cl.Cl.Cl.
What is the InChIKey of [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride?
The InChIKey is ANVPKDSNTWAVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.3ClH/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17;;;/h4-9,16-18H2,1-3H3;3*1H.
What are the key properties of [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride?
[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride has a molecular weight of 358.79 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride is sourced from PubChem (CID 71310676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).