octane-1,4,8-triamine

C8H21N3 — CID 18544198

IUPACoctane-1,4,8-triamine
SMILESNCCCCC(N)CCCN
InChIInChI=1S/C8H21N3/c9-6-2-1-4-8(11)5-3-7-10/h8H,1-7,9-11H2
InChIKeyMKXQGNOFNPQKIX-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.18
Rot. Bonds7

About octane-1,4,8-triamine

octane-1,4,8-triamine (PubChem CID 18544198) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is octane-1,4,8-triamine.

Molecular Properties

Compound Nameoctane-1,4,8-triamine
PubChem CID18544198
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Nameoctane-1,4,8-triamine
SMILESNCCCCC(N)CCCN
InChIInChI=1S/C8H21N3/c9-6-2-1-4-8(11)5-3-7-10/h8H,1-7,9-11H2
InChIKeyMKXQGNOFNPQKIX-UHFFFAOYSA-N
XLogP0.18
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentacosane-1,13,25-triamine
CID 174653759
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
tridecane-1,4,7,10,13-pentamine
CID 86224803
octane-1,1,4,8-tetramine
CID 139682493
nonadecane-1,13-diamine
CID 102135569
undecane-1,6-diamine
CID 18419788
octadecane-1,5-diamine
CID 154229011
octadecane-1,6,7,18-tetramine
CID 56630973
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
heptane-1,4-diamine
CID 18547393
2-methyldecane-1,1,10-triamine
CID 175230718
tridecane-1,4,7,10-tetramine
CID 175128174

Frequently Asked Questions

What is the IUPAC name of octane-1,4,8-triamine?
The IUPAC name of octane-1,4,8-triamine (CID 18544198) is octane-1,4,8-triamine.
What is the SMILES notation for octane-1,4,8-triamine?
The canonical SMILES for octane-1,4,8-triamine is NCCCCC(N)CCCN.
What is the InChIKey of octane-1,4,8-triamine?
The InChIKey is MKXQGNOFNPQKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c9-6-2-1-4-8(11)5-3-7-10/h8H,1-7,9-11H2.
What are the key properties of octane-1,4,8-triamine?
octane-1,4,8-triamine has a molecular weight of 159.28 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,4,8-triamine is sourced from PubChem (CID 18544198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).