N-(2-aminoethyl)-N-cyclopropylformamide

C6H12N2O — CID 82502405

IUPACN-(2-aminoethyl)-N-cyclopropylformamide
SMILESNCCN(C=O)C1CC1
InChIInChI=1S/C6H12N2O/c7-3-4-8(5-9)6-1-2-6/h5-6H,1-4,7H2
InChIKeyXHGMADSUDWDHQE-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.43
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopropylformamide

N-(2-aminoethyl)-N-cyclopropylformamide (PubChem CID 82502405) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopropylformamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopropylformamide
PubChem CID82502405
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-(2-aminoethyl)-N-cyclopropylformamide
SMILESNCCN(C=O)C1CC1
InChIInChI=1S/C6H12N2O/c7-3-4-8(5-9)6-1-2-6/h5-6H,1-4,7H2
InChIKeyXHGMADSUDWDHQE-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.43
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-(2-aminoethyl)-N-cyclopropylformamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopropylformamide (CID 82502405) is N-(2-aminoethyl)-N-cyclopropylformamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopropylformamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopropylformamide is NCCN(C=O)C1CC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopropylformamide?
The InChIKey is XHGMADSUDWDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-3-4-8(5-9)6-1-2-6/h5-6H,1-4,7H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopropylformamide?
N-(2-aminoethyl)-N-cyclopropylformamide has a molecular weight of 128.18 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopropylformamide is sourced from PubChem (CID 82502405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).