N-[1-(aminomethyl)cyclopropyl]formamide

C5H10N2O — CID 87444117

IUPACN-[1-(aminomethyl)cyclopropyl]formamide
SMILESNCC1(NC=O)CC1
InChIInChI=1S/C5H10N2O/c6-3-5(1-2-5)7-4-8/h4H,1-3,6H2,(H,7,8)
InChIKeyVRJOGWUMZXOPPV-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.78
Rot. Bonds3

About N-[1-(aminomethyl)cyclopropyl]formamide

N-[1-(aminomethyl)cyclopropyl]formamide (PubChem CID 87444117) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]formamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]formamide
PubChem CID87444117
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-[1-(aminomethyl)cyclopropyl]formamide
SMILESNCC1(NC=O)CC1
InChIInChI=1S/C5H10N2O/c6-3-5(1-2-5)7-4-8/h4H,1-3,6H2,(H,7,8)
InChIKeyVRJOGWUMZXOPPV-UHFFFAOYSA-N
XLogP-0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
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-[1-(aminomethyl)cyclopropyl]formamide?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]formamide (CID 87444117) is N-[1-(aminomethyl)cyclopropyl]formamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]formamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]formamide is NCC1(NC=O)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]formamide?
The InChIKey is VRJOGWUMZXOPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-3-5(1-2-5)7-4-8/h4H,1-3,6H2,(H,7,8).
What are the key properties of N-[1-(aminomethyl)cyclopropyl]formamide?
N-[1-(aminomethyl)cyclopropyl]formamide has a molecular weight of 114.15 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]formamide is sourced from PubChem (CID 87444117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).