1-N'-methylpropane-1,1-diamine

C4H12N2 — CID 22182297

IUPAC1-N'-methylpropane-1,1-diamine
SMILESCCC(N)NC
InChIInChI=1S/C4H12N2/c1-3-4(5)6-2/h4,6H,3,5H2,1-2H3
InChIKeyOMMKTOYORLTRPN-UHFFFAOYSA-N
MW88.15 g/mol
LogP-0.10
Rot. Bonds2

About 1-N'-methylpropane-1,1-diamine

1-N'-methylpropane-1,1-diamine (PubChem CID 22182297) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is 1-N'-methylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-methylpropane-1,1-diamine
PubChem CID22182297
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Name1-N'-methylpropane-1,1-diamine
SMILESCCC(N)NC
InChIInChI=1S/C4H12N2/c1-3-4(5)6-2/h4,6H,3,5H2,1-2H3
InChIKeyOMMKTOYORLTRPN-UHFFFAOYSA-N
XLogP-0.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-methylpropane-1,1-diamine?
The IUPAC name of 1-N'-methylpropane-1,1-diamine (CID 22182297) is 1-N'-methylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-methylpropane-1,1-diamine?
The canonical SMILES for 1-N'-methylpropane-1,1-diamine is CCC(N)NC.
What is the InChIKey of 1-N'-methylpropane-1,1-diamine?
The InChIKey is OMMKTOYORLTRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2/c1-3-4(5)6-2/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-N'-methylpropane-1,1-diamine?
1-N'-methylpropane-1,1-diamine has a molecular weight of 88.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methylpropane-1,1-diamine is sourced from PubChem (CID 22182297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).