1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine

C17H30N2S — CID 79475974

IUPAC1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCC1CCCCC1(CN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H30N2S/c1-4-15-8-5-6-10-17(15,13-18)19(3)14(2)12-16-9-7-11-20-16/h7,9,11,14-15H,4-6,8,10,12-13,18H2,1-3H3
InChIKeyNESZXZPLAFFHBU-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.91
Rot. Bonds6

About 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine

1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine (PubChem CID 79475974) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
PubChem CID79475974
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCC1CCCCC1(CN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H30N2S/c1-4-15-8-5-6-10-17(15,13-18)19(3)14(2)12-16-9-7-11-20-16/h7,9,11,14-15H,4-6,8,10,12-13,18H2,1-3H3
InChIKeyNESZXZPLAFFHBU-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
1-(aminomethyl)-N-methyl-3-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 103563049
3-(aminomethyl)-N-methyl-1,1-dioxo-N-(1-thiophen-2-ylpropan-2-yl)thiolan-3-amine
CID 79476122
1-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 115435396
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-ol
CID 79486270
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclobutan-1-amine
CID 81005241
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 79494889
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
1-(1-amino-2-thiophen-2-ylethyl)-N,N-dimethylcyclohexan-1-amine
CID 79066955

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine (CID 79475974) is 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine is CCC1CCCCC1(CN)N(C)C(C)Cc1cccs1.
What is the InChIKey of 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is NESZXZPLAFFHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-15-8-5-6-10-17(15,13-18)19(3)14(2)12-16-9-7-11-20-16/h7,9,11,14-15H,4-6,8,10,12-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine?
1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 79475974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).