N-[2-[2-(propylamino)ethylamino]ethyl]formamide

C8H19N3O — CID 150221110

IUPACN-[2-[2-(propylamino)ethylamino]ethyl]formamide
SMILESCCCNCCNCCNC=O
InChIInChI=1S/C8H19N3O/c1-2-3-9-4-5-10-6-7-11-8-12/h8-10H,2-7H2,1H3,(H,11,12)
InChIKeyFTMRBQVILJXZKI-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.68
Rot. Bonds9

About N-[2-[2-(propylamino)ethylamino]ethyl]formamide

N-[2-[2-(propylamino)ethylamino]ethyl]formamide (PubChem CID 150221110) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[2-[2-(propylamino)ethylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(propylamino)ethylamino]ethyl]formamide
PubChem CID150221110
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-[2-[2-(propylamino)ethylamino]ethyl]formamide
SMILESCCCNCCNCCNC=O
InChIInChI=1S/C8H19N3O/c1-2-3-9-4-5-10-6-7-11-8-12/h8-10H,2-7H2,1H3,(H,11,12)
InChIKeyFTMRBQVILJXZKI-UHFFFAOYSA-N
XLogP-0.68
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.68
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

N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
N-[2-(ethylamino)ethyl]formamide
CID 54012560
ethane;N-pentylformamide
CID 145350301
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
CID 121459092
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-butylformamide;prop-1-yne
CID 88728632
formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 174938120

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(propylamino)ethylamino]ethyl]formamide?
The IUPAC name of N-[2-[2-(propylamino)ethylamino]ethyl]formamide (CID 150221110) is N-[2-[2-(propylamino)ethylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(propylamino)ethylamino]ethyl]formamide?
The canonical SMILES for N-[2-[2-(propylamino)ethylamino]ethyl]formamide is CCCNCCNCCNC=O.
What is the InChIKey of N-[2-[2-(propylamino)ethylamino]ethyl]formamide?
The InChIKey is FTMRBQVILJXZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-2-3-9-4-5-10-6-7-11-8-12/h8-10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[2-[2-(propylamino)ethylamino]ethyl]formamide?
N-[2-[2-(propylamino)ethylamino]ethyl]formamide has a molecular weight of 173.26 g/mol, XLogP of -0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(propylamino)ethylamino]ethyl]formamide is sourced from PubChem (CID 150221110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).