ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium

C10H28N4+4 — CID 59071551

IUPACethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium
SMILESCC[NH2+][C@H]1C[NH2+]CC[NH2+]C[C@@H]1[NH2+]CC
InChIInChI=1S/C10H24N4/c1-3-13-9-7-11-5-6-12-8-10(9)14-4-2/h9-14H,3-8H2,1-2H3/p+4/t9-,10-/m0/s1
InChIKeyZVZSVSQOULCERP-UWVGGRQHSA-R
MW204.36 g/mol
LogP-4.97
Rot. Bonds4

About ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium

ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium (PubChem CID 59071551) has the molecular formula C10H28N4+4 and a molecular weight of 204.36 g/mol. Its IUPAC name is ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium.

Molecular Properties

Compound Nameethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium
PubChem CID59071551
Molecular FormulaC10H28N4+4
Molecular Weight204.36 g/mol
Exact Mass204.23
IUPAC Nameethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium
SMILESCC[NH2+][C@H]1C[NH2+]CC[NH2+]C[C@@H]1[NH2+]CC
InChIInChI=1S/C10H24N4/c1-3-13-9-7-11-5-6-12-8-10(9)14-4-2/h9-14H,3-8H2,1-2H3/p+4/t9-,10-/m0/s1
InChIKeyZVZSVSQOULCERP-UWVGGRQHSA-R
XLogP-4.97
TPSA66.44 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 5-4.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium with MolForge

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Related Compounds

1-N,4-N-bis[3-(ethylamino)propyl]butane-1,2,4-triamine
CID 11208063
1,12-Dimethylspermine
CID 3081835
1,12-Diamino-3,10-dimethyl-4,9-diazadodecane
CID 153936872
1,2-Propanediamine, N1,N1'-1,2-ethanediylbis-
CID 3084955
1,2-Propanediamine, N1-[2-[(2-amino-1-methylethyl)amino]ethyl]-
CID 20834301
1,3-Butanediamine, N1-[4-[(3-aminopropyl)amino]butyl]-
CID 10443319
N-(1-Amino-2-propyl)-N'-(2-amino-1-propyl)ethanediamine
CID 5748772
N2-{2-[(Aminomethyl)(ethyl)amino]ethyl}butane-1,2-diamine
CID 16727466
Ethane, 1-(2-aminoethyl)amino-2-[2-(2-aminoethyl)-aminoethyl]amino-
CID 87477888
(3S,3'S)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine
CID 16069453
1,4,8,11-Tetraazabicyclo(9.3.3)heptadecane
CID 91332352
1,4,8,11-Tetraazacyclotetradecane, 5,12-dimethyl-
CID 6395752

Frequently Asked Questions

What is the IUPAC name of ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium?
The IUPAC name of ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium (CID 59071551) is ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium.
What is the SMILES notation for ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium?
The canonical SMILES for ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium is CC[NH2+][C@H]1C[NH2+]CC[NH2+]C[C@@H]1[NH2+]CC.
What is the InChIKey of ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium?
The InChIKey is ZVZSVSQOULCERP-UWVGGRQHSA-R. The full InChI is InChI=1S/C10H24N4/c1-3-13-9-7-11-5-6-12-8-10(9)14-4-2/h9-14H,3-8H2,1-2H3/p+4/t9-,10-/m0/s1.
What are the key properties of ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium?
ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium has a molecular weight of 204.36 g/mol, XLogP of -4.97, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(6S,7S)-7-(ethylazaniumyl)-1,4-diazocane-1,4-diium-6-yl]azanium is sourced from PubChem (CID 59071551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).