(Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol

C16H30N2O2 — CID 102279304

IUPAC(Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol
SMILESC/C(O)=C/C(C)NC1CCCCC1NC(C)/C=C(/C)O
InChIInChI=1S/C16H30N2O2/c1-11(9-13(3)19)17-15-7-5-6-8-16(15)18-12(2)10-14(4)20/h9-12,15-20H,5-8H2,1-4H3/b13-9-,14-10-
InChIKeyHNDPFLJJVQITEI-FOIMCPNXSA-N
MW282.43 g/mol
LogP3.18
Rot. Bonds6

About (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol

(Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol (PubChem CID 102279304) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol.

Molecular Properties

Compound Name(Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol
PubChem CID102279304
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol
SMILESC/C(O)=C/C(C)NC1CCCCC1NC(C)/C=C(/C)O
InChIInChI=1S/C16H30N2O2/c1-11(9-13(3)19)17-15-7-5-6-8-16(15)18-12(2)10-14(4)20/h9-12,15-20H,5-8H2,1-4H3/b13-9-,14-10-
InChIKeyHNDPFLJJVQITEI-FOIMCPNXSA-N
XLogP3.18
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol?
The IUPAC name of (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol (CID 102279304) is (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol.
What is the SMILES notation for (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol?
The canonical SMILES for (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol is C/C(O)=C/C(C)NC1CCCCC1NC(C)/C=C(/C)O.
What is the InChIKey of (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol?
The InChIKey is HNDPFLJJVQITEI-FOIMCPNXSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(9-13(3)19)17-15-7-5-6-8-16(15)18-12(2)10-14(4)20/h9-12,15-20H,5-8H2,1-4H3/b13-9-,14-10-.
What are the key properties of (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol?
(Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol has a molecular weight of 282.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[2-[[(Z)-4-hydroxypent-3-en-2-yl]amino]cyclohexyl]amino]pent-2-en-2-ol is sourced from PubChem (CID 102279304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).