(3R)-3-methyl-2-methyliminocyclopentan-1-ol

C7H13NO — CID 163792952

IUPAC(3R)-3-methyl-2-methyliminocyclopentan-1-ol
SMILESC/N=C1/C(O)CC[C@H]1C
InChIInChI=1S/C7H13NO/c1-5-3-4-6(9)7(5)8-2/h5-6,9H,3-4H2,1-2H3/b8-7+/t5-,6?/m1/s1
InChIKeyMYJXVWKKCAIWQS-FQIBTTFDSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds

About (3R)-3-methyl-2-methyliminocyclopentan-1-ol

(3R)-3-methyl-2-methyliminocyclopentan-1-ol (PubChem CID 163792952) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R)-3-methyl-2-methyliminocyclopentan-1-ol.

Molecular Properties

Compound Name(3R)-3-methyl-2-methyliminocyclopentan-1-ol
PubChem CID163792952
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R)-3-methyl-2-methyliminocyclopentan-1-ol
SMILESC/N=C1/C(O)CC[C@H]1C
InChIInChI=1S/C7H13NO/c1-5-3-4-6(9)7(5)8-2/h5-6,9H,3-4H2,1-2H3/b8-7+/t5-,6?/m1/s1
InChIKeyMYJXVWKKCAIWQS-FQIBTTFDSA-N
XLogP0.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanol
CID 60117012
2-Methyl-3-methyliminocyclopentan-1-ol
CID 123648806
3-Imino-4-methylcyclopentan-1-ol
CID 145156750
(1S)-3-(methyliminomethyl)cyclopentan-1-ol
CID 166905406
ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol
CID 171517742
(2R,3R)-3-methyl-4-methyliminohexan-2-ol
CID 171517743

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-methyliminocyclopentan-1-ol?
The IUPAC name of (3R)-3-methyl-2-methyliminocyclopentan-1-ol (CID 163792952) is (3R)-3-methyl-2-methyliminocyclopentan-1-ol.
What is the SMILES notation for (3R)-3-methyl-2-methyliminocyclopentan-1-ol?
The canonical SMILES for (3R)-3-methyl-2-methyliminocyclopentan-1-ol is C/N=C1/C(O)CC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-2-methyliminocyclopentan-1-ol?
The InChIKey is MYJXVWKKCAIWQS-FQIBTTFDSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-4-6(9)7(5)8-2/h5-6,9H,3-4H2,1-2H3/b8-7+/t5-,6?/m1/s1.
What are the key properties of (3R)-3-methyl-2-methyliminocyclopentan-1-ol?
(3R)-3-methyl-2-methyliminocyclopentan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-methyliminocyclopentan-1-ol is sourced from PubChem (CID 163792952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).