1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol

C9H17NO — CID 146358543

IUPAC1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC1=CC1C
InChIInChI=1S/C9H17NO/c1-3-4-8(11)6-10-9-5-7(9)2/h5,7-8,10-11H,3-4,6H2,1-2H3
InChIKeyDVDWFYKYNXSTPP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.27
Rot. Bonds5

About 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol

1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol (PubChem CID 146358543) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol
PubChem CID146358543
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC1=CC1C
InChIInChI=1S/C9H17NO/c1-3-4-8(11)6-10-9-5-7(9)2/h5,7-8,10-11H,3-4,6H2,1-2H3
InChIKeyDVDWFYKYNXSTPP-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol (CID 146358543) is 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol is CCCC(O)CNC1=CC1C.
What is the InChIKey of 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol?
The InChIKey is DVDWFYKYNXSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-8(11)6-10-9-5-7(9)2/h5,7-8,10-11H,3-4,6H2,1-2H3.
What are the key properties of 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol?
1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopropen-1-yl)amino]pentan-2-ol is sourced from PubChem (CID 146358543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).