N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide

C12H26N4O2Se2 — CID 11475539

IUPACN-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide
SMILESNCCNC(=O)CCC[Se][Se]CCCC(=O)NCCN
InChIInChI=1S/C12H26N4O2Se2/c13-5-7-15-11(17)3-1-9-19-20-10-2-4-12(18)16-8-6-14/h1-10,13-14H2,(H,15,17)(H,16,18)
InChIKeyUKVPPXDTYHZCMC-UHFFFAOYSA-N
MW416.29 g/mol
LogP-1.14
Rot. Bonds13

About N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide

N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide (PubChem CID 11475539) has the molecular formula C12H26N4O2Se2 and a molecular weight of 416.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide
PubChem CID11475539
Molecular FormulaC12H26N4O2Se2
Molecular Weight416.29 g/mol
Exact Mass418.04
IUPAC NameN-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide
SMILESNCCNC(=O)CCC[Se][Se]CCCC(=O)NCCN
InChIInChI=1S/C12H26N4O2Se2/c13-5-7-15-11(17)3-1-9-19-20-10-2-4-12(18)16-8-6-14/h1-10,13-14H2,(H,15,17)(H,16,18)
InChIKeyUKVPPXDTYHZCMC-UHFFFAOYSA-N
XLogP-1.14
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 163628502
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N-(2-aminoethyl)-7-methyloctanamide
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CID 102194596

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide?
The IUPAC name of N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide (CID 11475539) is N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide?
The canonical SMILES for N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide is NCCNC(=O)CCC[Se][Se]CCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide?
The InChIKey is UKVPPXDTYHZCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2Se2/c13-5-7-15-11(17)3-1-9-19-20-10-2-4-12(18)16-8-6-14/h1-10,13-14H2,(H,15,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide?
N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide has a molecular weight of 416.29 g/mol, XLogP of -1.14, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[[4-(2-aminoethylamino)-4-oxobutyl]diselanyl]butanamide is sourced from PubChem (CID 11475539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).