(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide

C10H21N3O — CID 163768155

IUPAC(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide
SMILES[H]/N=C(\N)[C@H](O)[C@@H](N)[C@H](C)[C@H](C)CC=C
InChIInChI=1S/C10H21N3O/c1-4-5-6(2)7(3)8(11)9(14)10(12)13/h4,6-9,14H,1,5,11H2,2-3H3,(H3,12,13)/t6-,7-,8+,9-/m1/s1
InChIKeyMEDCZVLGRSGWDQ-LURQLKTLSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds6

About (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide

(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide (PubChem CID 163768155) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide
PubChem CID163768155
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide
SMILES[H]/N=C(\N)[C@H](O)[C@@H](N)[C@H](C)[C@H](C)CC=C
InChIInChI=1S/C10H21N3O/c1-4-5-6(2)7(3)8(11)9(14)10(12)13/h4,6-9,14H,1,5,11H2,2-3H3,(H3,12,13)/t6-,7-,8+,9-/m1/s1
InChIKeyMEDCZVLGRSGWDQ-LURQLKTLSA-N
XLogP0.46
TPSA96.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethylhept-6-en-2-amine
CID 131966570
4-methylhept-6-en-2-imine
CID 123395995
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
4,5,6-trimethyloct-1-ene
CID 91354249
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
pent-4-en-2-ol;urea
CID 88650571
2,3,4,5-tetrahydroxyheptanimidamide
CID 163818041
azane;pent-4-en-2-ol
CID 22149561
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
2-methylpropanimidamide;hydrochloride
CID 2782053
ethane;5-methyloct-1-en-4-ol
CID 142059047
3-methylhept-6-ene-2,4-diol
CID 66895376

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide?
The IUPAC name of (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide (CID 163768155) is (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide.
What is the SMILES notation for (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide?
The canonical SMILES for (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide is [H]/N=C(\N)[C@H](O)[C@@H](N)[C@H](C)[C@H](C)CC=C.
What is the InChIKey of (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide?
The InChIKey is MEDCZVLGRSGWDQ-LURQLKTLSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-5-6(2)7(3)8(11)9(14)10(12)13/h4,6-9,14H,1,5,11H2,2-3H3,(H3,12,13)/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide?
(2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-3-amino-2-hydroxy-4,5-dimethyloct-7-enimidamide is sourced from PubChem (CID 163768155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).