N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine

C16H27NOS — CID 116763428

IUPACN-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1(OC)CCCCC1
InChIInChI=1S/C16H27NOS/c1-3-10-17-15(12-14-7-11-19-13-14)16(18-2)8-5-4-6-9-16/h7,11,13,15,17H,3-6,8-10,12H2,1-2H3
InChIKeyPACOVRMBNHBTJN-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.01
Rot. Bonds7

About N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 116763428) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID116763428
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1(OC)CCCCC1
InChIInChI=1S/C16H27NOS/c1-3-10-17-15(12-14-7-11-19-13-14)16(18-2)8-5-4-6-9-16/h7,11,13,15,17H,3-6,8-10,12H2,1-2H3
InChIKeyPACOVRMBNHBTJN-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
[1-(1-methoxycyclobutyl)-2-thiophen-3-ylethyl]hydrazine
CID 105270433
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
N-[1-(1-pyrrolidin-1-ylcyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 79059228
N-[2-(3-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763420
N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
1-(1-methoxycyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113432820
N-[1-(1-phenylcyclopropyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62881756
N-[2-(furan-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714803
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 116763428) is N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)C1(OC)CCCCC1.
What is the InChIKey of N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is PACOVRMBNHBTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-3-10-17-15(12-14-7-11-19-13-14)16(18-2)8-5-4-6-9-16/h7,11,13,15,17H,3-6,8-10,12H2,1-2H3.
What are the key properties of N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 116763428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).