2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide

C12H27N7O3 — CID 59349236

IUPAC2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide
SMILESNCC(=O)NCCN(CCNC(=O)CN)CCNC(=O)CN
InChIInChI=1S/C12H27N7O3/c13-7-10(20)16-1-4-19(5-2-17-11(21)8-14)6-3-18-12(22)9-15/h1-9,13-15H2,(H,16,20)(H,17,21)(H,18,22)
InChIKeyXKMIDTDPUXMBMF-UHFFFAOYSA-N
MW317.39 g/mol
LogP-4.49
Rot. Bonds12

About 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide

2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide (PubChem CID 59349236) has the molecular formula C12H27N7O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide
PubChem CID59349236
Molecular FormulaC12H27N7O3
Molecular Weight317.39 g/mol
Exact Mass317.22
IUPAC Name2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide
SMILESNCC(=O)NCCN(CCNC(=O)CN)CCNC(=O)CN
InChIInChI=1S/C12H27N7O3/c13-7-10(20)16-1-4-19(5-2-17-11(21)8-14)6-3-18-12(22)9-15/h1-9,13-15H2,(H,16,20)(H,17,21)(H,18,22)
InChIKeyXKMIDTDPUXMBMF-UHFFFAOYSA-N
XLogP-4.49
TPSA168.60 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 5-4.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
2-amino-N-[3-(dipropylamino)propyl]acetamide
CID 119861226
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]amino]propanoylamino]ethyl]amino]propanamide
CID 101243782
N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
CID 129308455
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
CID 53387315
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
CID 156874754
CID 156874754
N-[2-[bis[3-[2-[[2-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-2-oxoethyl]-[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]-3-(dimethylamino)propanamide
CID 88983416
N-(3-aminopropyl)-3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propanamide
CID 118288521
N-[2-[(2-aminoacetyl)amino]ethyl]-3-sulfanylpropanamide
CID 140976881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide (CID 59349236) is 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide is NCC(=O)NCCN(CCNC(=O)CN)CCNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide?
The InChIKey is XKMIDTDPUXMBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N7O3/c13-7-10(20)16-1-4-19(5-2-17-11(21)8-14)6-3-18-12(22)9-15/h1-9,13-15H2,(H,16,20)(H,17,21)(H,18,22).
What are the key properties of 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide?
2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of -4.49, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[bis[2-[(2-aminoacetyl)amino]ethyl]amino]ethyl]acetamide is sourced from PubChem (CID 59349236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).