(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol

C8H15NO — CID 142076978

IUPAC(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol
SMILESC/N=C(\C)C(C)[C@@H]1CC1O
InChIInChI=1S/C8H15NO/c1-5(6(2)9-3)7-4-8(7)10/h5,7-8,10H,4H2,1-3H3/b9-6+/t5?,7-,8?/m0/s1
InChIKeyKRPIDTIVZRLKLV-BJDGEVCFSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds2

About (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol

(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol (PubChem CID 142076978) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol
PubChem CID142076978
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol
SMILESC/N=C(\C)C(C)[C@@H]1CC1O
InChIInChI=1S/C8H15NO/c1-5(6(2)9-3)7-4-8(7)10/h5,7-8,10H,4H2,1-3H3/b9-6+/t5?,7-,8?/m0/s1
InChIKeyKRPIDTIVZRLKLV-BJDGEVCFSA-N
XLogP1.09
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
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

2-Methyl-3-methyliminocyclopentan-1-ol
CID 123648806
5-Methyl-6-methyliminoheptan-2-ol
CID 130222382
2-Cyclopropyl-4-methyliminopentan-1-ol
CID 145467250
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 (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol?
The IUPAC name of (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol (CID 142076978) is (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol.
What is the SMILES notation for (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol?
The canonical SMILES for (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol is C/N=C(\C)C(C)[C@@H]1CC1O.
What is the InChIKey of (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol?
The InChIKey is KRPIDTIVZRLKLV-BJDGEVCFSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(6(2)9-3)7-4-8(7)10/h5,7-8,10H,4H2,1-3H3/b9-6+/t5?,7-,8?/m0/s1.
What are the key properties of (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol?
(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 142076978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).