(2R)-propane-1,1,2-triamine

C3H11N3 — CID 164890165

IUPAC(2R)-propane-1,1,2-triamine
SMILESC[C@@H](N)C(N)N
InChIInChI=1S/C3H11N3/c1-2(4)3(5)6/h2-3H,4-6H2,1H3/t2-/m1/s1
InChIKeyHTIMQENIYIHRMC-UWTATZPHSA-N
MW89.14 g/mol
LogP-1.42
Rot. Bonds1

About (2R)-propane-1,1,2-triamine

(2R)-propane-1,1,2-triamine (PubChem CID 164890165) has the molecular formula C3H11N3 and a molecular weight of 89.14 g/mol. Its IUPAC name is (2R)-propane-1,1,2-triamine.

Molecular Properties

Compound Name(2R)-propane-1,1,2-triamine
PubChem CID164890165
Molecular FormulaC3H11N3
Molecular Weight89.14 g/mol
Exact Mass89.10
IUPAC Name(2R)-propane-1,1,2-triamine
SMILESC[C@@H](N)C(N)N
InChIInChI=1S/C3H11N3/c1-2(4)3(5)6/h2-3H,4-6H2,1H3/t2-/m1/s1
InChIKeyHTIMQENIYIHRMC-UWTATZPHSA-N
XLogP-1.42
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-butane-2,3-diamine
CID 172719520
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
(2R)-3-methylbutan-2-amine
CID 6999786
1-aminoethanethiol;gold
CID 87377143
(2S)-3-methylbutan-2-amine;2-methylpropane
CID 161042679
(1S,2S)-1-iodopropane-1,2-diamine
CID 87514719
(2S)-3-aminobutan-2-ol
CID 90804830
nonane-2,3,4,5,6,7,8-heptamine
CID 58672678
(2S,3R)-3-bromobutan-2-amine
CID 13495075
ethane;pentane-2,3,4-triamine
CID 91203687
(2R)-3-aminobutan-2-ol
CID 141331265
hydron;propan-2-amine
CID 174699722

Frequently Asked Questions

What is the IUPAC name of (2R)-propane-1,1,2-triamine?
The IUPAC name of (2R)-propane-1,1,2-triamine (CID 164890165) is (2R)-propane-1,1,2-triamine.
What is the SMILES notation for (2R)-propane-1,1,2-triamine?
The canonical SMILES for (2R)-propane-1,1,2-triamine is C[C@@H](N)C(N)N.
What is the InChIKey of (2R)-propane-1,1,2-triamine?
The InChIKey is HTIMQENIYIHRMC-UWTATZPHSA-N. The full InChI is InChI=1S/C3H11N3/c1-2(4)3(5)6/h2-3H,4-6H2,1H3/t2-/m1/s1.
What are the key properties of (2R)-propane-1,1,2-triamine?
(2R)-propane-1,1,2-triamine has a molecular weight of 89.14 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-propane-1,1,2-triamine is sourced from PubChem (CID 164890165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).