N-methyl-N'-propylethane-1,2-diamine

C6H16N2 — CID 7171915

IUPACN-methyl-N'-propylethane-1,2-diamine
SMILESCCCNCCNC
InChIInChI=1S/C6H16N2/c1-3-4-8-6-5-7-2/h7-8H,3-6H2,1-2H3
InChIKeyCHKWHTPECBLEBR-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.21
Rot. Bonds5

About N-methyl-N'-propylethane-1,2-diamine

N-methyl-N'-propylethane-1,2-diamine (PubChem CID 7171915) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-propylethane-1,2-diamine
PubChem CID7171915
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC NameN-methyl-N'-propylethane-1,2-diamine
SMILESCCCNCCNC
InChIInChI=1S/C6H16N2/c1-3-4-8-6-5-7-2/h7-8H,3-6H2,1-2H3
InChIKeyCHKWHTPECBLEBR-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-propylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-propylethane-1,2-diamine (CID 7171915) is N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-propylethane-1,2-diamine is CCCNCCNC.
What is the InChIKey of N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is CHKWHTPECBLEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-3-4-8-6-5-7-2/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-N'-propylethane-1,2-diamine?
N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 7171915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).