(2R)-4-imino-2-methylpentan-1-ol

C6H13NO — CID 147626949

IUPAC(2R)-4-imino-2-methylpentan-1-ol
SMILES[H]/N=C(\C)C[C@@H](C)CO
InChIInChI=1S/C6H13NO/c1-5(4-8)3-6(2)7/h5,7-8H,3-4H2,1-2H3/b7-6+/t5-/m1/s1
InChIKeyGEYZCMJVDBBPIQ-VEDIPHOLSA-N
MW115.18 g/mol
LogP1.04
Rot. Bonds3

About (2R)-4-imino-2-methylpentan-1-ol

(2R)-4-imino-2-methylpentan-1-ol (PubChem CID 147626949) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2R)-4-imino-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2R)-4-imino-2-methylpentan-1-ol
PubChem CID147626949
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2R)-4-imino-2-methylpentan-1-ol
SMILES[H]/N=C(\C)C[C@@H](C)CO
InChIInChI=1S/C6H13NO/c1-5(4-8)3-6(2)7/h5,7-8H,3-4H2,1-2H3/b7-6+/t5-/m1/s1
InChIKeyGEYZCMJVDBBPIQ-VEDIPHOLSA-N
XLogP1.04
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminopentanol
CID 123912692
1-Fluoro-3-imino-4-methylpentan-2-ol
CID 89424581
(3-Iminocyclopentyl)methanol
CID 53681316
5-Imino-2-methylpentan-1-ol
CID 54190457
5-Imino-4-methylpentan-1-ol
CID 54573572
3-Iminopentan-1-ol
CID 57151415
3-Imino-2-methylhexan-1-ol
CID 57255166
2-Iminopentan-1-ol
CID 88251980
2-Imino-3-methylbutan-1-ol
CID 88252798
3-Imino-4-methylpentan-2-ol
CID 88890997
3-Imino-4-methylpentane-1,2-diol
CID 88891082
4-Imino-2,2-dimethylpentan-1-ol
CID 89082688

Frequently Asked Questions

What is the IUPAC name of (2R)-4-imino-2-methylpentan-1-ol?
The IUPAC name of (2R)-4-imino-2-methylpentan-1-ol (CID 147626949) is (2R)-4-imino-2-methylpentan-1-ol.
What is the SMILES notation for (2R)-4-imino-2-methylpentan-1-ol?
The canonical SMILES for (2R)-4-imino-2-methylpentan-1-ol is [H]/N=C(\C)C[C@@H](C)CO.
What is the InChIKey of (2R)-4-imino-2-methylpentan-1-ol?
The InChIKey is GEYZCMJVDBBPIQ-VEDIPHOLSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(4-8)3-6(2)7/h5,7-8H,3-4H2,1-2H3/b7-6+/t5-/m1/s1.
What are the key properties of (2R)-4-imino-2-methylpentan-1-ol?
(2R)-4-imino-2-methylpentan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-imino-2-methylpentan-1-ol is sourced from PubChem (CID 147626949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).