N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine

C8H21N3 — CID 3266971

IUPACN-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine
SMILESCNCCCNCCCNC
InChIInChI=1S/C8H21N3/c1-9-5-3-7-11-8-4-6-10-2/h9-11H,3-8H2,1-2H3
InChIKeyCOFOBGYBKLTPER-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.20
Rot. Bonds8

About N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine

N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine (PubChem CID 3266971) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine
PubChem CID3266971
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine
SMILESCNCCCNCCCNC
InChIInChI=1S/C8H21N3/c1-9-5-3-7-11-8-4-6-10-2/h9-11H,3-8H2,1-2H3
InChIKeyCOFOBGYBKLTPER-UHFFFAOYSA-N
XLogP-0.20
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine (CID 3266971) is N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine is CNCCCNCCCNC.
What is the InChIKey of N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine?
The InChIKey is COFOBGYBKLTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-9-5-3-7-11-8-4-6-10-2/h9-11H,3-8H2,1-2H3.
What are the key properties of N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine?
N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine has a molecular weight of 159.28 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 3266971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).