N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H29NS — CID 63452540

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C18H29NS/c1-12(2)16-8-7-13(3)9-17(16)19-11-15-10-14-5-4-6-18(14)20-15/h10,12-13,16-17,19H,4-9,11H2,1-3H3
InChIKeyOMXUFPTWEFHFEC-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.79
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 63452540) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID63452540
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCc2cc3c(s2)CCC3)C1
InChIInChI=1S/C18H29NS/c1-12(2)16-8-7-13(3)9-17(16)19-11-15-10-14-5-4-6-18(14)20-15/h10,12-13,16-17,19H,4-9,11H2,1-3H3
InChIKeyOMXUFPTWEFHFEC-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethanamine
CID 61206850
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 104577704
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755679
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750
5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707
4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 43710025

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 63452540) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCc2cc3c(s2)CCC3)C1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is OMXUFPTWEFHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-12(2)16-8-7-13(3)9-17(16)19-11-15-10-14-5-4-6-18(14)20-15/h10,12-13,16-17,19H,4-9,11H2,1-3H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63452540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).