2-cyclopropyl-4-methyliminopentan-1-ol

C9H17NO — CID 145467250

IUPAC2-cyclopropyl-4-methyliminopentan-1-ol
SMILESC/N=C(\C)CC(CO)C1CC1
InChIInChI=1S/C9H17NO/c1-7(10-2)5-9(6-11)8-3-4-8/h8-9,11H,3-6H2,1-2H3/b10-7+
InChIKeyGYRQPTLMILBRIT-JXMROGBWSA-N
MW155.24 g/mol
LogP1.49
Rot. Bonds4

About 2-cyclopropyl-4-methyliminopentan-1-ol

2-cyclopropyl-4-methyliminopentan-1-ol (PubChem CID 145467250) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyliminopentan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-methyliminopentan-1-ol
PubChem CID145467250
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-cyclopropyl-4-methyliminopentan-1-ol
SMILESC/N=C(\C)CC(CO)C1CC1
InChIInChI=1S/C9H17NO/c1-7(10-2)5-9(6-11)8-3-4-8/h8-9,11H,3-6H2,1-2H3/b10-7+
InChIKeyGYRQPTLMILBRIT-JXMROGBWSA-N
XLogP1.49
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.49
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

5-Methyl-6-methyliminoheptan-2-ol
CID 130222382
(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol
CID 142076978
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 2-cyclopropyl-4-methyliminopentan-1-ol?
The IUPAC name of 2-cyclopropyl-4-methyliminopentan-1-ol (CID 145467250) is 2-cyclopropyl-4-methyliminopentan-1-ol.
What is the SMILES notation for 2-cyclopropyl-4-methyliminopentan-1-ol?
The canonical SMILES for 2-cyclopropyl-4-methyliminopentan-1-ol is C/N=C(\C)CC(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-methyliminopentan-1-ol?
The InChIKey is GYRQPTLMILBRIT-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(10-2)5-9(6-11)8-3-4-8/h8-9,11H,3-6H2,1-2H3/b10-7+.
What are the key properties of 2-cyclopropyl-4-methyliminopentan-1-ol?
2-cyclopropyl-4-methyliminopentan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyliminopentan-1-ol is sourced from PubChem (CID 145467250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).