N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C18H32N2S — CID 63482196

IUPACN-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN(C)Cc1ccsc1
InChIInChI=1S/C18H32N2S/c1-5-19-18-7-6-16(14(2)3)10-17(18)12-20(4)11-15-8-9-21-13-15/h8-9,13-14,16-19H,5-7,10-12H2,1-4H3
InChIKeyUTERVRVMVJFBGI-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.23
Rot. Bonds7

About N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63482196) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63482196
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC NameN-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN(C)Cc1ccsc1
InChIInChI=1S/C18H32N2S/c1-5-19-18-7-6-16(14(2)3)10-17(18)12-20(4)11-15-8-9-21-13-15/h8-9,13-14,16-19H,5-7,10-12H2,1-4H3
InChIKeyUTERVRVMVJFBGI-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708305
N,4-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616435
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63493524
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63484331
4-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 55093939
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560588
N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744332
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
3-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]thiophene
CID 63472632

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63482196) is N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1CN(C)Cc1ccsc1.
What is the InChIKey of N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is UTERVRVMVJFBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-19-18-7-6-16(14(2)3)10-17(18)12-20(4)11-15-8-9-21-13-15/h8-9,13-14,16-19H,5-7,10-12H2,1-4H3.
What are the key properties of N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 308.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).