N-(3-aminopropyl)formamide;toluene

C11H18N2O — CID 162755810

IUPACN-(3-aminopropyl)formamide;toluene
SMILESCc1ccccc1.NCCCNC=O
InChIInChI=1S/C7H8.C4H10N2O/c1-7-5-3-2-4-6-7;5-2-1-3-6-4-7/h2-6H,1H3;4H,1-3,5H2,(H,6,7)
InChIKeySTCPPRYLFIUUPI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.08
Rot. Bonds4

About N-(3-aminopropyl)formamide;toluene

N-(3-aminopropyl)formamide;toluene (PubChem CID 162755810) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(3-aminopropyl)formamide;toluene.

Molecular Properties

Compound NameN-(3-aminopropyl)formamide;toluene
PubChem CID162755810
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(3-aminopropyl)formamide;toluene
SMILESCc1ccccc1.NCCCNC=O
InChIInChI=1S/C7H8.C4H10N2O/c1-7-5-3-2-4-6-7;5-2-1-3-6-4-7/h2-6H,1H3;4H,1-3,5H2,(H,6,7)
InChIKeySTCPPRYLFIUUPI-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)formamide;toluene?
The IUPAC name of N-(3-aminopropyl)formamide;toluene (CID 162755810) is N-(3-aminopropyl)formamide;toluene.
What is the SMILES notation for N-(3-aminopropyl)formamide;toluene?
The canonical SMILES for N-(3-aminopropyl)formamide;toluene is Cc1ccccc1.NCCCNC=O.
What is the InChIKey of N-(3-aminopropyl)formamide;toluene?
The InChIKey is STCPPRYLFIUUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10N2O/c1-7-5-3-2-4-6-7;5-2-1-3-6-4-7/h2-6H,1H3;4H,1-3,5H2,(H,6,7).
What are the key properties of N-(3-aminopropyl)formamide;toluene?
N-(3-aminopropyl)formamide;toluene has a molecular weight of 194.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)formamide;toluene is sourced from PubChem (CID 162755810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).