N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine

C17H29NS — CID 80609279

IUPACN-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CCCCCCC1
InChIInChI=1S/C17H29NS/c1-3-11-18-17(16-12-14(2)19-13-16)15-9-7-5-4-6-8-10-15/h12-13,15,17-18H,3-11H2,1-2H3
InChIKeyJJTRKQKPRRONAK-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.46
Rot. Bonds5

About N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine

N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 80609279) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID80609279
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CCCCCCC1
InChIInChI=1S/C17H29NS/c1-3-11-18-17(16-12-14(2)19-13-16)15-9-7-5-4-6-8-10-15/h12-13,15,17-18H,3-11H2,1-2H3
InChIKeyJJTRKQKPRRONAK-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65410330
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686
N-[(3-bromo-5-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981193

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine (CID 80609279) is N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is JJTRKQKPRRONAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-3-11-18-17(16-12-14(2)19-13-16)15-9-7-5-4-6-8-10-15/h12-13,15,17-18H,3-11H2,1-2H3.
What are the key properties of N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine?
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 80609279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).