[amino(2-methylpropyl)amino]methanamine

C5H15N3 — CID 118146151

IUPAC[amino(2-methylpropyl)amino]methanamine
SMILESCC(C)CN(N)CN
InChIInChI=1S/C5H15N3/c1-5(2)3-8(7)4-6/h5H,3-4,6-7H2,1-2H3
InChIKeyLXCSDPXXAPUYRQ-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.27
Rot. Bonds3

About [amino(2-methylpropyl)amino]methanamine

[amino(2-methylpropyl)amino]methanamine (PubChem CID 118146151) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is [amino(2-methylpropyl)amino]methanamine.

Molecular Properties

Compound Name[amino(2-methylpropyl)amino]methanamine
PubChem CID118146151
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name[amino(2-methylpropyl)amino]methanamine
SMILESCC(C)CN(N)CN
InChIInChI=1S/C5H15N3/c1-5(2)3-8(7)4-6/h5H,3-4,6-7H2,1-2H3
InChIKeyLXCSDPXXAPUYRQ-UHFFFAOYSA-N
XLogP-0.27
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino(2-methylpropyl)amino]methanamine?
The IUPAC name of [amino(2-methylpropyl)amino]methanamine (CID 118146151) is [amino(2-methylpropyl)amino]methanamine.
What is the SMILES notation for [amino(2-methylpropyl)amino]methanamine?
The canonical SMILES for [amino(2-methylpropyl)amino]methanamine is CC(C)CN(N)CN.
What is the InChIKey of [amino(2-methylpropyl)amino]methanamine?
The InChIKey is LXCSDPXXAPUYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-5(2)3-8(7)4-6/h5H,3-4,6-7H2,1-2H3.
What are the key properties of [amino(2-methylpropyl)amino]methanamine?
[amino(2-methylpropyl)amino]methanamine has a molecular weight of 117.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(2-methylpropyl)amino]methanamine is sourced from PubChem (CID 118146151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).