1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine

C17H29NS — CID 81030934

IUPAC1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(CC2CC(C)(C)CCC2CNC)s1
InChIInChI=1S/C17H29NS/c1-5-15-6-7-16(19-15)10-14-11-17(2,3)9-8-13(14)12-18-4/h6-7,13-14,18H,5,8-12H2,1-4H3
InChIKeyPEGCNHPDAFYGHN-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine

1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine (PubChem CID 81030934) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
PubChem CID81030934
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(CC2CC(C)(C)CCC2CNC)s1
InChIInChI=1S/C17H29NS/c1-5-15-6-7-16(19-15)10-14-11-17(2,3)9-8-13(14)12-18-4/h6-7,13-14,18H,5,8-12H2,1-4H3
InChIKeyPEGCNHPDAFYGHN-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine (CID 81030934) is 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine is CCc1ccc(CC2CC(C)(C)CCC2CNC)s1.
What is the InChIKey of 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The InChIKey is PEGCNHPDAFYGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-15-6-7-16(19-15)10-14-11-17(2,3)9-8-13(14)12-18-4/h6-7,13-14,18H,5,8-12H2,1-4H3.
What are the key properties of 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine has a molecular weight of 279.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81030934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).