cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol

C14H26N2O — CID 89271919

IUPACcis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol
SMILESCC/C=C(C)\C=C1\CCC[C@H](O)[C@H]1NCCN
InChIInChI=1S/C14H26N2O/c1-3-5-11(2)10-12-6-4-7-13(17)14(12)16-9-8-15/h5,10,13-14,16-17H,3-4,6-9,15H2,1-2H3/b11-5-,12-10-/t13-,14-/m0/s1
InChIKeyHIVMLQVCQPCFKY-HFNNDJBXSA-N
MW238.37 g/mol
LogP1.73
Rot. Bonds5

About cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol

cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol (PubChem CID 89271919) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol
PubChem CID89271919
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namecis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol
SMILESCC/C=C(C)\C=C1\CCC[C@H](O)[C@H]1NCCN
InChIInChI=1S/C14H26N2O/c1-3-5-11(2)10-12-6-4-7-13(17)14(12)16-9-8-15/h5,10,13-14,16-17H,3-4,6-9,15H2,1-2H3/b11-5-,12-10-/t13-,14-/m0/s1
InChIKeyHIVMLQVCQPCFKY-HFNNDJBXSA-N
XLogP1.73
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol (CID 89271919) is cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol is CC/C=C(C)\C=C1\CCC[C@H](O)[C@H]1NCCN.
What is the InChIKey of cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol?
The InChIKey is HIVMLQVCQPCFKY-HFNNDJBXSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-11(2)10-12-6-4-7-13(17)14(12)16-9-8-15/h5,10,13-14,16-17H,3-4,6-9,15H2,1-2H3/b11-5-,12-10-/t13-,14-/m0/s1.
What are the key properties of cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol?
cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S,3Z)-2-(2-aminoethylamino)-3-[(Z)-2-methylpent-2-enylidene]cyclohexan-1-ol is sourced from PubChem (CID 89271919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).