N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine

C16H27NOS — CID 105027707

IUPACN-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)C1CCCCCC1
InChIInChI=1S/C16H27NOS/c1-3-11-17-15(13-8-6-4-5-7-9-13)16-14(18-2)10-12-19-16/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyHTFDDKFYDISZQF-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.77
Rot. Bonds6

About N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine

N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 105027707) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID105027707
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)C1CCCCCC1
InChIInChI=1S/C16H27NOS/c1-3-11-17-15(13-8-6-4-5-7-9-13)16-14(18-2)10-12-19-16/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyHTFDDKFYDISZQF-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[cyclopentyl-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105282522
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
1-cyclopropyl-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 104994165
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
2-cyclohexyl-1-(3-methoxythiophen-2-yl)ethanol
CID 115786210
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992089
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine (CID 105027707) is N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1OC)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is HTFDDKFYDISZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-3-11-17-15(13-8-6-4-5-7-9-13)16-14(18-2)10-12-19-16/h10,12-13,15,17H,3-9,11H2,1-2H3.
What are the key properties of N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105027707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).