3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine

C7H20N4 — CID 154520906

IUPAC3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine
SMILESCC(CCN)NCCC(N)N
InChIInChI=1S/C7H20N4/c1-6(2-4-8)11-5-3-7(9)10/h6-7,11H,2-5,8-10H2,1H3
InChIKeyUCMUOVRCDHFJLX-UHFFFAOYSA-N
MW160.26 g/mol
LogP-1.05
Rot. Bonds6

About 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine

3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine (PubChem CID 154520906) has the molecular formula C7H20N4 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine.

Molecular Properties

Compound Name3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine
PubChem CID154520906
Molecular FormulaC7H20N4
Molecular Weight160.26 g/mol
Exact Mass160.17
IUPAC Name3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine
SMILESCC(CCN)NCCC(N)N
InChIInChI=1S/C7H20N4/c1-6(2-4-8)11-5-3-7(9)10/h6-7,11H,2-5,8-10H2,1H3
InChIKeyUCMUOVRCDHFJLX-UHFFFAOYSA-N
XLogP-1.05
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine?
The IUPAC name of 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine (CID 154520906) is 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine.
What is the SMILES notation for 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine?
The canonical SMILES for 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine is CC(CCN)NCCC(N)N.
What is the InChIKey of 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine?
The InChIKey is UCMUOVRCDHFJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4/c1-6(2-4-8)11-5-3-7(9)10/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine?
3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine has a molecular weight of 160.26 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine is sourced from PubChem (CID 154520906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).