trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine

C14H34N6 — CID 71163513

IUPACtrans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine
SMILESNCCN(CCN)[C@@H]1CCCC[C@H]1N(CCN)CCN
InChIInChI=1S/C14H34N6/c15-5-9-19(10-6-16)13-3-1-2-4-14(13)20(11-7-17)12-8-18/h13-14H,1-12,15-18H2/t13-,14-/m1/s1
InChIKeyDBVFWYJWVAPTRM-ZIAGYGMSSA-N
MW286.47 g/mol
LogP-1.26
Rot. Bonds10

About trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine (PubChem CID 71163513) has the molecular formula C14H34N6 and a molecular weight of 286.47 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine
PubChem CID71163513
Molecular FormulaC14H34N6
Molecular Weight286.47 g/mol
Exact Mass286.28
IUPAC Nametrans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine
SMILESNCCN(CCN)[C@@H]1CCCC[C@H]1N(CCN)CCN
InChIInChI=1S/C14H34N6/c15-5-9-19(10-6-16)13-3-1-2-4-14(13)20(11-7-17)12-8-18/h13-14H,1-12,15-18H2/t13-,14-/m1/s1
InChIKeyDBVFWYJWVAPTRM-ZIAGYGMSSA-N
XLogP-1.26
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine (CID 71163513) is trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine is NCCN(CCN)[C@@H]1CCCC[C@H]1N(CCN)CCN.
What is the InChIKey of trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine?
The InChIKey is DBVFWYJWVAPTRM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H34N6/c15-5-9-19(10-6-16)13-3-1-2-4-14(13)20(11-7-17)12-8-18/h13-14H,1-12,15-18H2/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine has a molecular weight of 286.47 g/mol, XLogP of -1.26, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 71163513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).