1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine

C11H27N5 — CID 155258247

IUPAC1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine
SMILESCCN(CC)C1CN(CN)CN(CNC)C1
InChIInChI=1S/C11H27N5/c1-4-16(5-2)11-6-14(8-12)10-15(7-11)9-13-3/h11,13H,4-10,12H2,1-3H3
InChIKeyDDHGDVMMIHKELU-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.63
Rot. Bonds6

About 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine

1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine (PubChem CID 155258247) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine
PubChem CID155258247
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC Name1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine
SMILESCCN(CC)C1CN(CN)CN(CNC)C1
InChIInChI=1S/C11H27N5/c1-4-16(5-2)11-6-14(8-12)10-15(7-11)9-13-3/h11,13H,4-10,12H2,1-3H3
InChIKeyDDHGDVMMIHKELU-UHFFFAOYSA-N
XLogP-0.63
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine?
The IUPAC name of 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine (CID 155258247) is 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine is CCN(CC)C1CN(CN)CN(CNC)C1.
What is the InChIKey of 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine?
The InChIKey is DDHGDVMMIHKELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c1-4-16(5-2)11-6-14(8-12)10-15(7-11)9-13-3/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine?
1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine has a molecular weight of 229.37 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-diethyl-3-(methylaminomethyl)-1,3-diazinan-5-amine is sourced from PubChem (CID 155258247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).