2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

C17H29NS — CID 63403838

IUPAC2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1ccc(CC)s1
InChIInChI=1S/C17H29NS/c1-4-10-18-17-9-6-13(3)11-14(17)12-16-8-7-15(5-2)19-16/h7-8,13-14,17-18H,4-6,9-12H2,1-3H3
InChIKeyAHILQYCORBXHGL-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.66
Rot. Bonds6

About 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine

2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 63403838) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
PubChem CID63403838
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1Cc1ccc(CC)s1
InChIInChI=1S/C17H29NS/c1-4-10-18-17-9-6-13(3)11-14(17)12-16-8-7-15(5-2)19-16/h7-8,13-14,17-18H,4-6,9-12H2,1-3H3
InChIKeyAHILQYCORBXHGL-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine (CID 63403838) is 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1Cc1ccc(CC)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is AHILQYCORBXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-4-10-18-17-9-6-13(3)11-14(17)12-16-8-7-15(5-2)19-16/h7-8,13-14,17-18H,4-6,9-12H2,1-3H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine?
2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63403838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).