4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide

C10H25N5O — CID 101479667

IUPAC4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide
SMILESNCCNCCCC(=O)NCCNCCN
InChIInChI=1S/C10H25N5O/c11-3-6-13-5-1-2-10(16)15-9-8-14-7-4-12/h13-14H,1-9,11-12H2,(H,15,16)
InChIKeyLRLZBJDHRVNPFT-UHFFFAOYSA-N
MW231.34 g/mol
LogP-2.02
Rot. Bonds11

About 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide

4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide (PubChem CID 101479667) has the molecular formula C10H25N5O and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide
PubChem CID101479667
Molecular FormulaC10H25N5O
Molecular Weight231.34 g/mol
Exact Mass231.21
IUPAC Name4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide
SMILESNCCNCCCC(=O)NCCNCCN
InChIInChI=1S/C10H25N5O/c11-3-6-13-5-1-2-10(16)15-9-8-14-7-4-12/h13-14H,1-9,11-12H2,(H,15,16)
InChIKeyLRLZBJDHRVNPFT-UHFFFAOYSA-N
XLogP-2.02
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide?
The IUPAC name of 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide (CID 101479667) is 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide.
What is the SMILES notation for 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide?
The canonical SMILES for 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide is NCCNCCCC(=O)NCCNCCN.
What is the InChIKey of 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide?
The InChIKey is LRLZBJDHRVNPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5O/c11-3-6-13-5-1-2-10(16)15-9-8-14-7-4-12/h13-14H,1-9,11-12H2,(H,15,16).
What are the key properties of 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide?
4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide has a molecular weight of 231.34 g/mol, XLogP of -2.02, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-N-[2-(2-aminoethylamino)ethyl]butanamide is sourced from PubChem (CID 101479667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).