N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide

C13H25N5O2 — CID 101368685

IUPACN-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNCCN(CCNCN)C(=O)C=C
InChIInChI=1S/C13H25N5O2/c1-3-12(19)17-6-5-15-7-9-18(13(20)4-2)10-8-16-11-14/h3-4,15-16H,1-2,5-11,14H2,(H,17,19)
InChIKeySNGDRZPZMUVPSA-UHFFFAOYSA-N
MW283.38 g/mol
LogP-1.60
Rot. Bonds12

About N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide

N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide (PubChem CID 101368685) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide
PubChem CID101368685
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNCCN(CCNCN)C(=O)C=C
InChIInChI=1S/C13H25N5O2/c1-3-12(19)17-6-5-15-7-9-18(13(20)4-2)10-8-16-11-14/h3-4,15-16H,1-2,5-11,14H2,(H,17,19)
InChIKeySNGDRZPZMUVPSA-UHFFFAOYSA-N
XLogP-1.60
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide (CID 101368685) is N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide is C=CC(=O)NCCNCCN(CCNCN)C(=O)C=C.
What is the InChIKey of N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide?
The InChIKey is SNGDRZPZMUVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-3-12(19)17-6-5-15-7-9-18(13(20)4-2)10-8-16-11-14/h3-4,15-16H,1-2,5-11,14H2,(H,17,19).
What are the key properties of N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide?
N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide has a molecular weight of 283.38 g/mol, XLogP of -1.60, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 101368685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).