(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol

C8H19N3O2 — CID 88890970

IUPAC(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol
SMILES[H]/N=C(\C(C)C)[C@@H](O)C(O)C(N)CN
InChIInChI=1S/C8H19N3O2/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-5,7-8,11-13H,3,9-10H2,1-2H3/b11-6+/t5?,7?,8-/m1/s1
InChIKeyIJJLRMZRYBCESH-CYZIIYCRSA-N
MW189.26 g/mol
LogP-1.33
Rot. Bonds5

About (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol

(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol (PubChem CID 88890970) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol.

Molecular Properties

Compound Name(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol
PubChem CID88890970
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol
SMILES[H]/N=C(\C(C)C)[C@@H](O)C(O)C(N)CN
InChIInChI=1S/C8H19N3O2/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-5,7-8,11-13H,3,9-10H2,1-2H3/b11-6+/t5?,7?,8-/m1/s1
InChIKeyIJJLRMZRYBCESH-CYZIIYCRSA-N
XLogP-1.33
TPSA116.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-imino-7-methyloctane-2,3,4,5-tetrol
CID 134382365
1-amino-5-imino-6-methylheptan-4-ol
CID 89424592
4-imino-3,5-dimethylhexan-2-ol
CID 158629570
6-imino-3,3,7-trimethyloctane-1,5-diamine
CID 154999303
1,2-diaminohexane-3,4-diol
CID 57132033
3-hydroxy-2-(1-hydroxybutyl)-4-imino-5-methylhexanenitrile
CID 134382344
(3S)-2-amino-4-iminopentane-1,3-diol
CID 89425663
1-hydroxyethyl carbamimidothioate
CID 19790650
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(2S)-1,2-diaminopentan-3-ol
CID 129142351
acetic acid;3,4-diaminobutan-2-ol;lanthanum
CID 175563180
acetic acid;cerium;3,4-diaminobutan-2-ol
CID 175563182

Frequently Asked Questions

What is the IUPAC name of (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol?
The IUPAC name of (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol (CID 88890970) is (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol.
What is the SMILES notation for (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol?
The canonical SMILES for (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol is [H]/N=C(\C(C)C)[C@@H](O)C(O)C(N)CN.
What is the InChIKey of (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol?
The InChIKey is IJJLRMZRYBCESH-CYZIIYCRSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-5,7-8,11-13H,3,9-10H2,1-2H3/b11-6+/t5?,7?,8-/m1/s1.
What are the key properties of (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol?
(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol has a molecular weight of 189.26 g/mol, XLogP of -1.33, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol is sourced from PubChem (CID 88890970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).