N-ethyl-N'-propylmethanediamine

C6H16N2 — CID 89149849

IUPACN-ethyl-N'-propylmethanediamine
SMILESCCCNCNCC
InChIInChI=1S/C6H16N2/c1-3-5-8-6-7-4-2/h7-8H,3-6H2,1-2H3
InChIKeyREMCSPWTDXVFNP-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.55
Rot. Bonds5

About N-ethyl-N'-propylmethanediamine

N-ethyl-N'-propylmethanediamine (PubChem CID 89149849) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is N-ethyl-N'-propylmethanediamine.

Molecular Properties

Compound NameN-ethyl-N'-propylmethanediamine
PubChem CID89149849
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC NameN-ethyl-N'-propylmethanediamine
SMILESCCCNCNCC
InChIInChI=1S/C6H16N2/c1-3-5-8-6-7-4-2/h7-8H,3-6H2,1-2H3
InChIKeyREMCSPWTDXVFNP-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-propylmethanediamine?
The IUPAC name of N-ethyl-N'-propylmethanediamine (CID 89149849) is N-ethyl-N'-propylmethanediamine.
What is the SMILES notation for N-ethyl-N'-propylmethanediamine?
The canonical SMILES for N-ethyl-N'-propylmethanediamine is CCCNCNCC.
What is the InChIKey of N-ethyl-N'-propylmethanediamine?
The InChIKey is REMCSPWTDXVFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-3-5-8-6-7-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-ethyl-N'-propylmethanediamine?
N-ethyl-N'-propylmethanediamine has a molecular weight of 116.21 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-propylmethanediamine is sourced from PubChem (CID 89149849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).