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

C16H27NS — CID 80611349

IUPACN-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCCCCCC1
InChIInChI=1S/C16H27NS/c1-2-11-17-16(15-10-12-18-13-15)14-8-6-4-3-5-7-9-14/h10,12-14,16-17H,2-9,11H2,1H3
InChIKeyFNIMSZVRGYVYEZ-UHFFFAOYSA-N
MW265.47 g/mol
LogP5.15
Rot. Bonds5

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

N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine (PubChem CID 80611349) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
PubChem CID80611349
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCCCCCC1
InChIInChI=1S/C16H27NS/c1-2-11-17-16(15-10-12-18-13-15)14-8-6-4-3-5-7-9-14/h10,12-14,16-17H,2-9,11H2,1H3
InChIKeyFNIMSZVRGYVYEZ-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 65415541
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine (CID 80611349) is N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccsc1)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine?
The InChIKey is FNIMSZVRGYVYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-2-11-17-16(15-10-12-18-13-15)14-8-6-4-3-5-7-9-14/h10,12-14,16-17H,2-9,11H2,1H3.
What are the key properties of N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine?
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 80611349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).