4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen

C15H34N2 — CID 156794556

IUPAC4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen
SMILESCCNCCC1CCC(N(C)CC(C)C)CC1.[H][H]
InChIInChI=1S/C15H32N2.H2/c1-5-16-11-10-14-6-8-15(9-7-14)17(4)12-13(2)3;/h13-16H,5-12H2,1-4H3;1H
InChIKeyMEFRTKUQBCYVTE-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds7

About 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen

4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen (PubChem CID 156794556) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen
PubChem CID156794556
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen
SMILESCCNCCC1CCC(N(C)CC(C)C)CC1.[H][H]
InChIInChI=1S/C15H32N2.H2/c1-5-16-11-10-14-6-8-15(9-7-14)17(4)12-13(2)3;/h13-16H,5-12H2,1-4H3;1H
InChIKeyMEFRTKUQBCYVTE-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine;2-methylpropane
CID 156794646
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
ethane;N-methyl-N-(2-methylpropyl)-2-propylspiro[3.5]nonan-7-amine
CID 169214887
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
N-ethyl-2-[4-(methoxymethyl)cyclohexyl]ethanamine
CID 163663067
2-(4-bicyclo[6.2.0]decanyl)-N-ethylethanamine
CID 138751667
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 80999159
1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
CID 62411796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen?
The IUPAC name of 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen (CID 156794556) is 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen.
What is the SMILES notation for 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen?
The canonical SMILES for 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen is CCNCCC1CCC(N(C)CC(C)C)CC1.[H][H].
What is the InChIKey of 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen?
The InChIKey is MEFRTKUQBCYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2.H2/c1-5-16-11-10-14-6-8-15(9-7-14)17(4)12-13(2)3;/h13-16H,5-12H2,1-4H3;1H.
What are the key properties of 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen?
4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen has a molecular weight of 242.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethyl]-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine;molecular hydrogen is sourced from PubChem (CID 156794556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).