N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide

C14H38N8S — CID 160913498

IUPACN'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide
SMILESCC(=S)N(CCNCCN)CCNCCN.NCCNCCN
InChIInChI=1S/C10H25N5S.C4H13N3/c1-10(16)15(8-6-13-4-2-11)9-7-14-5-3-12;5-1-3-7-4-2-6/h13-14H,2-9,11-12H2,1H3;7H,1-6H2
InChIKeySRCGRZVDXDVXFJ-UHFFFAOYSA-N
MW350.58 g/mol
LogP-2.77
Rot. Bonds14

About N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide

N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide (PubChem CID 160913498) has the molecular formula C14H38N8S and a molecular weight of 350.58 g/mol. Its IUPAC name is N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide
PubChem CID160913498
Molecular FormulaC14H38N8S
Molecular Weight350.58 g/mol
Exact Mass350.29
IUPAC NameN'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide
SMILESCC(=S)N(CCNCCN)CCNCCN.NCCNCCN
InChIInChI=1S/C10H25N5S.C4H13N3/c1-10(16)15(8-6-13-4-2-11)9-7-14-5-3-12;5-1-3-7-4-2-6/h13-14H,2-9,11-12H2,1H3;7H,1-6H2
InChIKeySRCGRZVDXDVXFJ-UHFFFAOYSA-N
XLogP-2.77
TPSA143.41 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 5-2.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethylamino)ethylamino]ethyl-dithiocarboxycarbamodithioic acid
CID 172718418
disodium;N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-N-sulfidocarbothioylcarbamodithioate
CID 172718417
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
tert-butyl N,N-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 102129204
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol
CID 23036601
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N,N-dipropylethanethioamide
CID 19819320

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide?
The IUPAC name of N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide (CID 160913498) is N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide.
What is the SMILES notation for N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide?
The canonical SMILES for N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide is CC(=S)N(CCNCCN)CCNCCN.NCCNCCN.
What is the InChIKey of N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide?
The InChIKey is SRCGRZVDXDVXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5S.C4H13N3/c1-10(16)15(8-6-13-4-2-11)9-7-14-5-3-12;5-1-3-7-4-2-6/h13-14H,2-9,11-12H2,1H3;7H,1-6H2.
What are the key properties of N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide?
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide has a molecular weight of 350.58 g/mol, XLogP of -2.77, 14 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide is sourced from PubChem (CID 160913498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).