trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine

C12H26N2O2 — CID 10966323

IUPACtrans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine
SMILESCOCCN[C@@H]1CCCC[C@H]1NCCOC
InChIInChI=1S/C12H26N2O2/c1-15-9-7-13-11-5-3-4-6-12(11)14-8-10-16-2/h11-14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJITQVEIEMMLPRG-VXGBXAGGSA-N
MW230.35 g/mol
LogP0.77
Rot. Bonds8

About trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine (PubChem CID 10966323) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine
PubChem CID10966323
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine
SMILESCOCCN[C@@H]1CCCC[C@H]1NCCOC
InChIInChI=1S/C12H26N2O2/c1-15-9-7-13-11-5-3-4-6-12(11)14-8-10-16-2/h11-14H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyJITQVEIEMMLPRG-VXGBXAGGSA-N
XLogP0.77
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)cyclohexanamine
CID 12687399
1-(2-Methoxyethyl)-2-propylpiperazine
CID 64832331
dilithium;2-methoxyethyl-[(1R,2R)-2-(2-methoxyethylazanidyl)cyclohexyl]azanide
CID 10966689
N-(2-morpholin-4-ylpropyl)cyclohexanamine
CID 60752243
(7aR,11aR)-1,2,3,5,6,7,7a,8,9,10,11,11a-dodecahydrobenzo[e][1,4,7]oxadiazonine-1,7-diium;dichloride;hydrate
CID 139154977
2,2'-((2-((2-Hydroxyethyl)amino)cyclohexyl)azanediyl)bis(ethan-1-ol)
CID 146036159
N-(1-fluoro-3-methoxypropan-2-yl)cyclohexanamine
CID 83817898
2-N-methyl-2-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,2-diamine
CID 102639919
(1R,2R)-2-fluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 126847777
(1R,2R)-2-fluoro-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 126847803
(3S)-N-cyclohexyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 10489453
N-(2-Ethoxyethyl)cyclohexanamine
CID 13173847

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine (CID 10966323) is trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine is COCCN[C@@H]1CCCC[C@H]1NCCOC.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
The InChIKey is JITQVEIEMMLPRG-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-9-7-13-11-5-3-4-6-12(11)14-8-10-16-2/h11-14H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-bis(2-methoxyethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 10966323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).