N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine

C8H21N3 — CID 14925990

IUPACN,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine
SMILESCNCC(C)(CNC)CNC
InChIInChI=1S/C8H21N3/c1-8(5-9-2,6-10-3)7-11-4/h9-11H,5-7H2,1-4H3
InChIKeyQZRJQNOLQGSLHB-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.35
Rot. Bonds6

About N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine

N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine (PubChem CID 14925990) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine
PubChem CID14925990
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine
SMILESCNCC(C)(CNC)CNC
InChIInChI=1S/C8H21N3/c1-8(5-9-2,6-10-3)7-11-4/h9-11H,5-7H2,1-4H3
InChIKeyQZRJQNOLQGSLHB-UHFFFAOYSA-N
XLogP-0.35
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The IUPAC name of N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine (CID 14925990) is N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine.
What is the SMILES notation for N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The canonical SMILES for N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine is CNCC(C)(CNC)CNC.
What is the InChIKey of N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The InChIKey is QZRJQNOLQGSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-8(5-9-2,6-10-3)7-11-4/h9-11H,5-7H2,1-4H3.
What are the key properties of N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine?
N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine has a molecular weight of 159.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-2-(methylaminomethyl)propane-1,3-diamine is sourced from PubChem (CID 14925990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).