N-(3-hydroxypropyl)-N-propan-2-ylformamide

C7H15NO2 — CID 62136937

IUPACN-(3-hydroxypropyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)CCCO
InChIInChI=1S/C7H15NO2/c1-7(2)8(6-10)4-3-5-9/h6-7,9H,3-5H2,1-2H3
InChIKeyCMEZRJJIVIOEKW-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.24
Rot. Bonds5

About N-(3-hydroxypropyl)-N-propan-2-ylformamide

N-(3-hydroxypropyl)-N-propan-2-ylformamide (PubChem CID 62136937) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylformamide
PubChem CID62136937
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)CCCO
InChIInChI=1S/C7H15NO2/c1-7(2)8(6-10)4-3-5-9/h6-7,9H,3-5H2,1-2H3
InChIKeyCMEZRJJIVIOEKW-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylformamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylformamide (CID 62136937) is N-(3-hydroxypropyl)-N-propan-2-ylformamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylformamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylformamide is CC(C)N(C=O)CCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylformamide?
The InChIKey is CMEZRJJIVIOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2)8(6-10)4-3-5-9/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylformamide?
N-(3-hydroxypropyl)-N-propan-2-ylformamide has a molecular weight of 145.20 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-ylformamide is sourced from PubChem (CID 62136937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).