N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide

C20H43N3OS — CID 14597110

IUPACN-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide
SMILESCCCCCCCCCCCCSCC(C)C(=O)NCCNCCN
InChIInChI=1S/C20H43N3OS/c1-3-4-5-6-7-8-9-10-11-12-17-25-18-19(2)20(24)23-16-15-22-14-13-21/h19,22H,3-18,21H2,1-2H3,(H,23,24)
InChIKeyTUGMAMKNPZRQQK-UHFFFAOYSA-N
MW373.65 g/mol
LogP3.94
Rot. Bonds19

About N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide

N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide (PubChem CID 14597110) has the molecular formula C20H43N3OS and a molecular weight of 373.65 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide
PubChem CID14597110
Molecular FormulaC20H43N3OS
Molecular Weight373.65 g/mol
Exact Mass373.31
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide
SMILESCCCCCCCCCCCCSCC(C)C(=O)NCCNCCN
InChIInChI=1S/C20H43N3OS/c1-3-4-5-6-7-8-9-10-11-12-17-25-18-19(2)20(24)23-16-15-22-14-13-21/h19,22H,3-18,21H2,1-2H3,(H,23,24)
InChIKeyTUGMAMKNPZRQQK-UHFFFAOYSA-N
XLogP3.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium
CID 20576071
methyl 3-decylsulfanyl-2-methylpropanoate
CID 66112872
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
CID 71344394
4-dodecylsulfanyl-3-methylbutan-2-one
CID 20576075
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
ethyl 2-methyl-3-pentylsulfanylpropanoate
CID 107746182
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
ethyl 3-pentylsulfanyl-2-(propylamino)propanoate
CID 107755402
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
(Z)-N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octadec-9-enamide
CID 20836285

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide (CID 14597110) is N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide is CCCCCCCCCCCCSCC(C)C(=O)NCCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide?
The InChIKey is TUGMAMKNPZRQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N3OS/c1-3-4-5-6-7-8-9-10-11-12-17-25-18-19(2)20(24)23-16-15-22-14-13-21/h19,22H,3-18,21H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide?
N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide has a molecular weight of 373.65 g/mol, XLogP of 3.94, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-3-dodecylsulfanyl-2-methylpropanamide is sourced from PubChem (CID 14597110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).