hexane-1,2,3,6-tetramine

C6H18N4 — CID 54172083

IUPAChexane-1,2,3,6-tetramine
SMILESNCCCC(N)C(N)CN
InChIInChI=1S/C6H18N4/c7-3-1-2-5(9)6(10)4-8/h5-6H,1-4,7-10H2
InChIKeyOVSITQVSSAFMTB-UHFFFAOYSA-N
MW146.24 g/mol
LogP-1.66
Rot. Bonds5

About hexane-1,2,3,6-tetramine

hexane-1,2,3,6-tetramine (PubChem CID 54172083) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is hexane-1,2,3,6-tetramine.

Molecular Properties

Compound Namehexane-1,2,3,6-tetramine
PubChem CID54172083
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Namehexane-1,2,3,6-tetramine
SMILESNCCCC(N)C(N)CN
InChIInChI=1S/C6H18N4/c7-3-1-2-5(9)6(10)4-8/h5-6H,1-4,7-10H2
InChIKeyOVSITQVSSAFMTB-UHFFFAOYSA-N
XLogP-1.66
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Hexane-2,5-diamine
CID 14849721
1,4-Dimethylputrescine
CID 162247
Hexane-1,2,3,4,5,6-hexamine
CID 71311311
1,3,6-Triaminohexane
CID 124313
1,4,7-Triaminoheptane
CID 164909
Pentane-1,3,5-triamine
CID 12406639
1,4-Diaminohexane
CID 14576686
Hexane-1,3-diamine
CID 19880522
1,2,3,4-Tetraaminobutane
CID 6395580
Hexane-1,2-diamine
CID 10362464
Hexane-1,5-diamine
CID 11007871
3,4-Hexanediamine
CID 12656175

Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,6-tetramine?
The IUPAC name of hexane-1,2,3,6-tetramine (CID 54172083) is hexane-1,2,3,6-tetramine.
What is the SMILES notation for hexane-1,2,3,6-tetramine?
The canonical SMILES for hexane-1,2,3,6-tetramine is NCCCC(N)C(N)CN.
What is the InChIKey of hexane-1,2,3,6-tetramine?
The InChIKey is OVSITQVSSAFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c7-3-1-2-5(9)6(10)4-8/h5-6H,1-4,7-10H2.
What are the key properties of hexane-1,2,3,6-tetramine?
hexane-1,2,3,6-tetramine has a molecular weight of 146.24 g/mol, XLogP of -1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,6-tetramine is sourced from PubChem (CID 54172083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).