octane-1,1,4,8-tetramine

C8H22N4 — CID 139682493

IUPACoctane-1,1,4,8-tetramine
SMILESNCCCCC(N)CCC(N)N
InChIInChI=1S/C8H22N4/c9-6-2-1-3-7(10)4-5-8(11)12/h7-8H,1-6,9-12H2
InChIKeyGLXXXFCYCBZPDV-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.53
Rot. Bonds7

About octane-1,1,4,8-tetramine

octane-1,1,4,8-tetramine (PubChem CID 139682493) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is octane-1,1,4,8-tetramine.

Molecular Properties

Compound Nameoctane-1,1,4,8-tetramine
PubChem CID139682493
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Nameoctane-1,1,4,8-tetramine
SMILESNCCCCC(N)CCC(N)N
InChIInChI=1S/C8H22N4/c9-6-2-1-3-7(10)4-5-8(11)12/h7-8H,1-6,9-12H2
InChIKeyGLXXXFCYCBZPDV-UHFFFAOYSA-N
XLogP-0.53
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentacosane-1,13,25-triamine
CID 174653759
octane-1,4,8-triamine
CID 18544198
tridecane-1,4,7,10,13-pentamine
CID 86224803
undecane-1,6-diamine
CID 18419788
octadecane-1,5-diamine
CID 154229011
nonadecane-1,13-diamine
CID 102135569
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
octadecane-1,6,7,18-tetramine
CID 56630973
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
dodecane-1,1,12,12-tetramine
CID 57282204
tridecane-1,4,7,10-tetramine
CID 175128174

Frequently Asked Questions

What is the IUPAC name of octane-1,1,4,8-tetramine?
The IUPAC name of octane-1,1,4,8-tetramine (CID 139682493) is octane-1,1,4,8-tetramine.
What is the SMILES notation for octane-1,1,4,8-tetramine?
The canonical SMILES for octane-1,1,4,8-tetramine is NCCCCC(N)CCC(N)N.
What is the InChIKey of octane-1,1,4,8-tetramine?
The InChIKey is GLXXXFCYCBZPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c9-6-2-1-3-7(10)4-5-8(11)12/h7-8H,1-6,9-12H2.
What are the key properties of octane-1,1,4,8-tetramine?
octane-1,1,4,8-tetramine has a molecular weight of 174.29 g/mol, XLogP of -0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,1,4,8-tetramine is sourced from PubChem (CID 139682493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).