(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol

C16H29NO — CID 67554986

IUPAC(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol
SMILESC/C=C(/C)C(C(C)CCC(N)O)C1C=CCCC1
InChIInChI=1S/C16H29NO/c1-4-12(2)16(13(3)10-11-15(17)18)14-8-6-5-7-9-14/h4,6,8,13-16,18H,5,7,9-11,17H2,1-3H3/b12-4-
InChIKeyQAAWHDMGAIQSAD-QCDXTXTGSA-N
MW251.41 g/mol
LogP3.62
Rot. Bonds6

About (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol

(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol (PubChem CID 67554986) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol
PubChem CID67554986
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol
SMILESC/C=C(/C)C(C(C)CCC(N)O)C1C=CCCC1
InChIInChI=1S/C16H29NO/c1-4-12(2)16(13(3)10-11-15(17)18)14-8-6-5-7-9-14/h4,6,8,13-16,18H,5,7,9-11,17H2,1-3H3/b12-4-
InChIKeyQAAWHDMGAIQSAD-QCDXTXTGSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol?
The IUPAC name of (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol (CID 67554986) is (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol.
What is the SMILES notation for (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol?
The canonical SMILES for (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol is C/C=C(/C)C(C(C)CCC(N)O)C1C=CCCC1.
What is the InChIKey of (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol?
The InChIKey is QAAWHDMGAIQSAD-QCDXTXTGSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-12(2)16(13(3)10-11-15(17)18)14-8-6-5-7-9-14/h4,6,8,13-16,18H,5,7,9-11,17H2,1-3H3/b12-4-.
What are the key properties of (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol?
(Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-amino-5-cyclohex-2-en-1-yl-4,6-dimethyloct-6-en-1-ol is sourced from PubChem (CID 67554986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).