N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine

C17H29NS — CID 81030814

IUPACN-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(CNC(C)(C)C)C(c2cccs2)C1
InChIInChI=1S/C17H29NS/c1-16(2,3)18-12-13-8-9-17(4,5)11-14(13)15-7-6-10-19-15/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3
InChIKeyBEEJXHJBJFGTFC-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.05
Rot. Bonds3

About N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine

N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine (PubChem CID 81030814) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
PubChem CID81030814
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(CNC(C)(C)C)C(c2cccs2)C1
InChIInChI=1S/C17H29NS/c1-16(2,3)18-12-13-8-9-17(4,5)11-14(13)15-7-6-10-19-15/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3
InChIKeyBEEJXHJBJFGTFC-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine (CID 81030814) is N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine is CC1(C)CCC(CNC(C)(C)C)C(c2cccs2)C1.
What is the InChIKey of N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
The InChIKey is BEEJXHJBJFGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-16(2,3)18-12-13-8-9-17(4,5)11-14(13)15-7-6-10-19-15/h6-7,10,13-14,18H,8-9,11-12H2,1-5H3.
What are the key properties of N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine?
N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine has a molecular weight of 279.49 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81030814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).