2-amino-6-imino-2,5-dimethylheptan-3-ol

C9H20N2O — CID 88919279

IUPAC2-amino-6-imino-2,5-dimethylheptan-3-ol
SMILES[H]/N=C(\C)C(C)CC(O)C(C)(C)N
InChIInChI=1S/C9H20N2O/c1-6(7(2)10)5-8(12)9(3,4)11/h6,8,10,12H,5,11H2,1-4H3/b10-7+
InChIKeyITRCVVLQAXHUBN-JXMROGBWSA-N
MW172.27 g/mol
LogP1.15
Rot. Bonds4

About 2-amino-6-imino-2,5-dimethylheptan-3-ol

2-amino-6-imino-2,5-dimethylheptan-3-ol (PubChem CID 88919279) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-amino-6-imino-2,5-dimethylheptan-3-ol.

Molecular Properties

Compound Name2-amino-6-imino-2,5-dimethylheptan-3-ol
PubChem CID88919279
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-amino-6-imino-2,5-dimethylheptan-3-ol
SMILES[H]/N=C(\C)C(C)CC(O)C(C)(C)N
InChIInChI=1S/C9H20N2O/c1-6(7(2)10)5-8(12)9(3,4)11/h6,8,10,12H,5,11H2,1-4H3/b10-7+
InChIKeyITRCVVLQAXHUBN-JXMROGBWSA-N
XLogP1.15
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-imino-2,5-dimethylheptan-3-ol?
The IUPAC name of 2-amino-6-imino-2,5-dimethylheptan-3-ol (CID 88919279) is 2-amino-6-imino-2,5-dimethylheptan-3-ol.
What is the SMILES notation for 2-amino-6-imino-2,5-dimethylheptan-3-ol?
The canonical SMILES for 2-amino-6-imino-2,5-dimethylheptan-3-ol is [H]/N=C(\C)C(C)CC(O)C(C)(C)N.
What is the InChIKey of 2-amino-6-imino-2,5-dimethylheptan-3-ol?
The InChIKey is ITRCVVLQAXHUBN-JXMROGBWSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(7(2)10)5-8(12)9(3,4)11/h6,8,10,12H,5,11H2,1-4H3/b10-7+.
What are the key properties of 2-amino-6-imino-2,5-dimethylheptan-3-ol?
2-amino-6-imino-2,5-dimethylheptan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-imino-2,5-dimethylheptan-3-ol is sourced from PubChem (CID 88919279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).