N-methylmethanamine;pent-1-en-2-ol

C7H17NO — CID 143709294

IUPACN-methylmethanamine;pent-1-en-2-ol
SMILESC=C(O)CCC.CNC
InChIInChI=1S/C5H10O.C2H7N/c1-3-4-5(2)6;1-3-2/h6H,2-4H2,1H3;3H,1-2H3
InChIKeyFGQARYVVDUWUCF-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.69
Rot. Bonds2

About N-methylmethanamine;pent-1-en-2-ol

N-methylmethanamine;pent-1-en-2-ol (PubChem CID 143709294) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-methylmethanamine;pent-1-en-2-ol.

Molecular Properties

Compound NameN-methylmethanamine;pent-1-en-2-ol
PubChem CID143709294
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-methylmethanamine;pent-1-en-2-ol
SMILESC=C(O)CCC.CNC
InChIInChI=1S/C5H10O.C2H7N/c1-3-4-5(2)6;1-3-2/h6H,2-4H2,1H3;3H,1-2H3
InChIKeyFGQARYVVDUWUCF-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;pent-1-en-2-ol?
The IUPAC name of N-methylmethanamine;pent-1-en-2-ol (CID 143709294) is N-methylmethanamine;pent-1-en-2-ol.
What is the SMILES notation for N-methylmethanamine;pent-1-en-2-ol?
The canonical SMILES for N-methylmethanamine;pent-1-en-2-ol is C=C(O)CCC.CNC.
What is the InChIKey of N-methylmethanamine;pent-1-en-2-ol?
The InChIKey is FGQARYVVDUWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C2H7N/c1-3-4-5(2)6;1-3-2/h6H,2-4H2,1H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;pent-1-en-2-ol?
N-methylmethanamine;pent-1-en-2-ol has a molecular weight of 131.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;pent-1-en-2-ol is sourced from PubChem (CID 143709294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).