N-[2-(2-formamidoethylamino)ethyl]formamide

C6H13N3O2 — CID 89321401

IUPACN-[2-(2-formamidoethylamino)ethyl]formamide
SMILESO=CNCCNCCNC=O
InChIInChI=1S/C6H13N3O2/c10-5-8-3-1-7-2-4-9-6-11/h5-7H,1-4H2,(H,8,10)(H,9,11)
InChIKeyHBIIBFCMBQSDKL-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.93
Rot. Bonds8

About N-[2-(2-formamidoethylamino)ethyl]formamide

N-[2-(2-formamidoethylamino)ethyl]formamide (PubChem CID 89321401) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[2-(2-formamidoethylamino)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2-formamidoethylamino)ethyl]formamide
PubChem CID89321401
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-[2-(2-formamidoethylamino)ethyl]formamide
SMILESO=CNCCNCCNC=O
InChIInChI=1S/C6H13N3O2/c10-5-8-3-1-7-2-4-9-6-11/h5-7H,1-4H2,(H,8,10)(H,9,11)
InChIKeyHBIIBFCMBQSDKL-UHFFFAOYSA-N
XLogP-1.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazinecarboxaldehyde
CID 82191
N-(2-formamidoethyl)formamide
CID 226108
Formaldehyde--N~1~-(2-aminoethyl)ethane-1,2-diamine (1/1)
CID 172597
1,4,7,10-Tetraazacyclododecane-1-carboxaldehyde
CID 21915993
N-(2-Aminoethyl)formamide
CID 13561311
N-methyl-N-[2-(methylamino)ethyl]formamide
CID 21707296
N-[2-(ethylamino)ethyl]formamide
CID 54012560
n-Formylglycylglycinamide
CID 85807662
N-[2-(2-fluoroethylamino)ethyl]formamide
CID 87509270
N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride
CID 163798377
Formamide, N,N-bis[2-(formylamino)ethyl]-
CID 11805472
1,4,7-Triazonane-1-carbaldehyde
CID 13804826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-formamidoethylamino)ethyl]formamide?
The IUPAC name of N-[2-(2-formamidoethylamino)ethyl]formamide (CID 89321401) is N-[2-(2-formamidoethylamino)ethyl]formamide.
What is the SMILES notation for N-[2-(2-formamidoethylamino)ethyl]formamide?
The canonical SMILES for N-[2-(2-formamidoethylamino)ethyl]formamide is O=CNCCNCCNC=O.
What is the InChIKey of N-[2-(2-formamidoethylamino)ethyl]formamide?
The InChIKey is HBIIBFCMBQSDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c10-5-8-3-1-7-2-4-9-6-11/h5-7H,1-4H2,(H,8,10)(H,9,11).
What are the key properties of N-[2-(2-formamidoethylamino)ethyl]formamide?
N-[2-(2-formamidoethylamino)ethyl]formamide has a molecular weight of 159.19 g/mol, XLogP of -1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-formamidoethylamino)ethyl]formamide is sourced from PubChem (CID 89321401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).