[amino(propan-2-yl)amino]methanamine

C4H13N3 — CID 118974820

IUPAC[amino(propan-2-yl)amino]methanamine
SMILESCC(C)N(N)CN
InChIInChI=1S/C4H13N3/c1-4(2)7(6)3-5/h4H,3,5-6H2,1-2H3
InChIKeyYWDCQBZGJJPOOD-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.51
Rot. Bonds2

About [amino(propan-2-yl)amino]methanamine

[amino(propan-2-yl)amino]methanamine (PubChem CID 118974820) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is [amino(propan-2-yl)amino]methanamine.

Molecular Properties

Compound Name[amino(propan-2-yl)amino]methanamine
PubChem CID118974820
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name[amino(propan-2-yl)amino]methanamine
SMILESCC(C)N(N)CN
InChIInChI=1S/C4H13N3/c1-4(2)7(6)3-5/h4H,3,5-6H2,1-2H3
InChIKeyYWDCQBZGJJPOOD-UHFFFAOYSA-N
XLogP-0.51
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.51
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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Related Compounds

[Amino(ethyl)amino]methanamine
CID 54408724
1-[Amino(propyl)amino]ethanamine
CID 88419921
[Amino(propyl)amino]methanamine
CID 88437406
N-(hydrazinylmethyl)propan-2-amine
CID 117574669
[Ethyl(methylamino)amino]methanamine
CID 118120231
[Amino(2-methylpropyl)amino]methanamine
CID 118146151
N-[[amino(propan-2-yl)amino]methyl]ethanamine
CID 118974693
[Dimethylamino(propan-2-yl)amino]methanamine
CID 118974794
1-[Amino(propan-2-yl)amino]propan-1-amine
CID 118974807
1-[Amino(ethyl)amino]propan-1-amine
CID 118974825
N-[[methylamino(propan-2-yl)amino]methyl]ethanamine
CID 118974829
N-[[amino(ethyl)amino]methyl]butan-2-amine
CID 118974837

Frequently Asked Questions

What is the IUPAC name of [amino(propan-2-yl)amino]methanamine?
The IUPAC name of [amino(propan-2-yl)amino]methanamine (CID 118974820) is [amino(propan-2-yl)amino]methanamine.
What is the SMILES notation for [amino(propan-2-yl)amino]methanamine?
The canonical SMILES for [amino(propan-2-yl)amino]methanamine is CC(C)N(N)CN.
What is the InChIKey of [amino(propan-2-yl)amino]methanamine?
The InChIKey is YWDCQBZGJJPOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-4(2)7(6)3-5/h4H,3,5-6H2,1-2H3.
What are the key properties of [amino(propan-2-yl)amino]methanamine?
[amino(propan-2-yl)amino]methanamine has a molecular weight of 103.17 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(propan-2-yl)amino]methanamine is sourced from PubChem (CID 118974820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).