sodium;butane-1,1,1,2,4-pentamine;hydride

C4H16N5Na — CID 173414185

IUPACsodium;butane-1,1,1,2,4-pentamine;hydride
SMILESNCCC(N)C(N)(N)N.[H-].[Na+]
InChIInChI=1S/C4H15N5.Na.H/c5-2-1-3(6)4(7,8)9;;/h3H,1-2,5-9H2;;/q;+1;-1
InChIKeyIXVIEDAASMBAMC-UHFFFAOYSA-N
MW157.20 g/mol
LogP-5.69
Rot. Bonds3

About sodium;butane-1,1,1,2,4-pentamine;hydride

sodium;butane-1,1,1,2,4-pentamine;hydride (PubChem CID 173414185) has the molecular formula C4H16N5Na and a molecular weight of 157.20 g/mol. Its IUPAC name is sodium;butane-1,1,1,2,4-pentamine;hydride.

Molecular Properties

Compound Namesodium;butane-1,1,1,2,4-pentamine;hydride
PubChem CID173414185
Molecular FormulaC4H16N5Na
Molecular Weight157.20 g/mol
Exact Mass157.13
IUPAC Namesodium;butane-1,1,1,2,4-pentamine;hydride
SMILESNCCC(N)C(N)(N)N.[H-].[Na+]
InChIInChI=1S/C4H15N5.Na.H/c5-2-1-3(6)4(7,8)9;;/h3H,1-2,5-9H2;;/q;+1;-1
InChIKeyIXVIEDAASMBAMC-UHFFFAOYSA-N
XLogP-5.69
TPSA130.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-5.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 sodium;butane-1,1,1,2,4-pentamine;hydride?
The IUPAC name of sodium;butane-1,1,1,2,4-pentamine;hydride (CID 173414185) is sodium;butane-1,1,1,2,4-pentamine;hydride.
What is the SMILES notation for sodium;butane-1,1,1,2,4-pentamine;hydride?
The canonical SMILES for sodium;butane-1,1,1,2,4-pentamine;hydride is NCCC(N)C(N)(N)N.[H-].[Na+].
What is the InChIKey of sodium;butane-1,1,1,2,4-pentamine;hydride?
The InChIKey is IXVIEDAASMBAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H15N5.Na.H/c5-2-1-3(6)4(7,8)9;;/h3H,1-2,5-9H2;;/q;+1;-1.
What are the key properties of sodium;butane-1,1,1,2,4-pentamine;hydride?
sodium;butane-1,1,1,2,4-pentamine;hydride has a molecular weight of 157.20 g/mol, XLogP of -5.69, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butane-1,1,1,2,4-pentamine;hydride is sourced from PubChem (CID 173414185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).