N-(2-aminoethyl)-N-propan-2-ylformamide

C6H14N2O — CID 82502410

IUPACN-(2-aminoethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)CCN
InChIInChI=1S/C6H14N2O/c1-6(2)8(5-9)4-3-7/h5-6H,3-4,7H2,1-2H3
InChIKeyAIJSZXRCXBJTNS-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.19
Rot. Bonds4

About N-(2-aminoethyl)-N-propan-2-ylformamide

N-(2-aminoethyl)-N-propan-2-ylformamide (PubChem CID 82502410) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propan-2-ylformamide
PubChem CID82502410
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-(2-aminoethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)CCN
InChIInChI=1S/C6H14N2O/c1-6(2)8(5-9)4-3-7/h5-6H,3-4,7H2,1-2H3
InChIKeyAIJSZXRCXBJTNS-UHFFFAOYSA-N
XLogP-0.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.19
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-propan-2-ylformamide?
The IUPAC name of N-(2-aminoethyl)-N-propan-2-ylformamide (CID 82502410) is N-(2-aminoethyl)-N-propan-2-ylformamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propan-2-ylformamide?
The canonical SMILES for N-(2-aminoethyl)-N-propan-2-ylformamide is CC(C)N(C=O)CCN.
What is the InChIKey of N-(2-aminoethyl)-N-propan-2-ylformamide?
The InChIKey is AIJSZXRCXBJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(2)8(5-9)4-3-7/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-propan-2-ylformamide?
N-(2-aminoethyl)-N-propan-2-ylformamide has a molecular weight of 130.19 g/mol, XLogP of -0.19, 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-propan-2-ylformamide is sourced from PubChem (CID 82502410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).