octane-1,3,6,8-tetramine

C8H22N4 — CID 18680656

IUPACoctane-1,3,6,8-tetramine
SMILESNCCC(N)CCC(N)CCN
InChIInChI=1S/C8H22N4/c9-5-3-7(11)1-2-8(12)4-6-10/h7-8H,1-6,9-12H2
InChIKeyDFKIUJUBDRIUBY-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.88
Rot. Bonds7

About octane-1,3,6,8-tetramine

octane-1,3,6,8-tetramine (PubChem CID 18680656) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is octane-1,3,6,8-tetramine.

Molecular Properties

Compound Nameoctane-1,3,6,8-tetramine
PubChem CID18680656
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Nameoctane-1,3,6,8-tetramine
SMILESNCCC(N)CCC(N)CCN
InChIInChI=1S/C8H22N4/c9-5-3-7(11)1-2-8(12)4-6-10/h7-8H,1-6,9-12H2
InChIKeyDFKIUJUBDRIUBY-UHFFFAOYSA-N
XLogP-0.88
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 ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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tridecane-1,4,7,10,13-pentamine
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4-bromobutane-1,3-diamine
CID 12531074
ethane;(5R)-heptane-1,3,5,7-tetramine
CID 142330050
5,8,10-triaminodecan-2-one
CID 15920060
pentacosane-1,13,25-triamine
CID 174653759
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
5-dimethoxysilylpentane-1,3-diamine
CID 123921736
3,5-diaminopentane-1-sulfonic acid
CID 87163288
5-[2-(3,5-diaminopentoxy)propan-2-yloxy]pentane-1,3-diamine
CID 178166469
1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine
CID 87276093
heptane-1,3,5-triamine
CID 89360326

Frequently Asked Questions

What is the IUPAC name of octane-1,3,6,8-tetramine?
The IUPAC name of octane-1,3,6,8-tetramine (CID 18680656) is octane-1,3,6,8-tetramine.
What is the SMILES notation for octane-1,3,6,8-tetramine?
The canonical SMILES for octane-1,3,6,8-tetramine is NCCC(N)CCC(N)CCN.
What is the InChIKey of octane-1,3,6,8-tetramine?
The InChIKey is DFKIUJUBDRIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c9-5-3-7(11)1-2-8(12)4-6-10/h7-8H,1-6,9-12H2.
What are the key properties of octane-1,3,6,8-tetramine?
octane-1,3,6,8-tetramine has a molecular weight of 174.29 g/mol, XLogP of -0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,3,6,8-tetramine is sourced from PubChem (CID 18680656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).