N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine

C16H27NS — CID 64776035

IUPACN-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CCC(CC)CC1
InChIInChI=1S/C16H27NS/c1-3-11-17-16(15-6-5-12-18-15)14-9-7-13(4-2)8-10-14/h5-6,12-14,16-17H,3-4,7-11H2,1-2H3
InChIKeyOYSXFPUAXASXQP-UHFFFAOYSA-N
MW265.47 g/mol
LogP5.01
Rot. Bonds6

About N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine

N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 64776035) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID64776035
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)C1CCC(CC)CC1
InChIInChI=1S/C16H27NS/c1-3-11-17-16(15-6-5-12-18-15)14-9-7-13(4-2)8-10-14/h5-6,12-14,16-17H,3-4,7-11H2,1-2H3
InChIKeyOYSXFPUAXASXQP-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]hydrazine
CID 105193634
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64502337
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 54982977

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine (CID 64776035) is N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)C1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is OYSXFPUAXASXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-3-11-17-16(15-6-5-12-18-15)14-9-7-13(4-2)8-10-14/h5-6,12-14,16-17H,3-4,7-11H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 64776035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).