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

C19H33NS — CID 81022477

IUPACN-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(CNC(C)(C)C)C(CCc2cccs2)C1
InChIInChI=1S/C19H33NS/c1-18(2,3)20-14-16-10-11-19(4,5)13-15(16)8-9-17-7-6-12-21-17/h6-7,12,15-16,20H,8-11,13-14H2,1-5H3
InChIKeyXNGYMQSBONKZRW-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.51
Rot. Bonds5

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

N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81022477) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81022477
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC NameN-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1(C)CCC(CNC(C)(C)C)C(CCc2cccs2)C1
InChIInChI=1S/C19H33NS/c1-18(2,3)20-14-16-10-11-19(4,5)13-15(16)8-9-17-7-6-12-21-17/h6-7,12,15-16,20H,8-11,13-14H2,1-5H3
InChIKeyXNGYMQSBONKZRW-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030814
N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81022991
2-methyl-N-[[4-propyl-2-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81025989
N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
CID 81017720
N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023531
3-chloro-2,2-dimethyl-4-(2-thiophen-2-ylethyl)oxolane
CID 130604785
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
CID 65304602
2-[(4,4-dimethylcyclohexyl)methyl]thiophene
CID 141443372
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63775207
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81022477) is N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CC1(C)CCC(CNC(C)(C)C)C(CCc2cccs2)C1.
What is the InChIKey of N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XNGYMQSBONKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-18(2,3)20-14-16-10-11-19(4,5)13-15(16)8-9-17-7-6-12-21-17/h6-7,12,15-16,20H,8-11,13-14H2,1-5H3.
What are the key properties of N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4,4-dimethyl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.55 g/mol, XLogP of 5.51, 5 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-(2-thiophen-2-ylethyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81022477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).