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

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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).