(Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol

C10H18N2O — CID 135190101

IUPAC(Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol
SMILES[H]/N=C(C(/C)=C(C)\C(C)=N\[H])\[C@H](O)CC
InChIInChI=1S/C10H18N2O/c1-5-9(13)10(12)7(3)6(2)8(4)11/h9,11-13H,5H2,1-4H3/b7-6-,11-8+,12-10-/t9-/m1/s1
InChIKeyBGILLXIHROPNGM-WVQVZHNMSA-N
MW182.27 g/mol
LogP2.15
Rot. Bonds4

About (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol

(Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol (PubChem CID 135190101) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol.

Molecular Properties

Compound Name(Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol
PubChem CID135190101
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol
SMILES[H]/N=C(C(/C)=C(C)\C(C)=N\[H])\[C@H](O)CC
InChIInChI=1S/C10H18N2O/c1-5-9(13)10(12)7(3)6(2)8(4)11/h9,11-13H,5H2,1-4H3/b7-6-,11-8+,12-10-/t9-/m1/s1
InChIKeyBGILLXIHROPNGM-WVQVZHNMSA-N
XLogP2.15
TPSA67.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-imino-4-methylhexan-2-one
CID 174544860
2-iminopentan-3-one;methanol
CID 144635571
3-ethylpentan-2-imine
CID 91583168
5-hydroxyheptane-3,4-dione
CID 89212565
sodium;hydride;2-iminopropanoic acid;2-methylbutane;propanoic acid
CID 175594507
1-(4-butan-2-ylpiperazin-1-yl)ethanimine
CID 63173602
3-hydroxypentan-2-one;zinc
CID 174642767
2-ethylbutanimidoylphosphonous acid
CID 91569966
(Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine
CID 177020029
(NZ)-N-[(Z)-2-imino-4,5,6-trimethylhept-4-en-3-ylidene]hydroxylamine
CID 137227661
molecular iodine;propane-1,1-diol
CID 141479363
4-imino-N,N-dimethylpentan-2-amine
CID 163674101

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol?
The IUPAC name of (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol (CID 135190101) is (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol.
What is the SMILES notation for (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol?
The canonical SMILES for (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol is [H]/N=C(C(/C)=C(C)\C(C)=N\[H])\[C@H](O)CC.
What is the InChIKey of (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol?
The InChIKey is BGILLXIHROPNGM-WVQVZHNMSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-9(13)10(12)7(3)6(2)8(4)11/h9,11-13H,5H2,1-4H3/b7-6-,11-8+,12-10-/t9-/m1/s1.
What are the key properties of (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol?
(Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol has a molecular weight of 182.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-4,7-diimino-5,6-dimethyloct-5-en-3-ol is sourced from PubChem (CID 135190101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).