N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

C16H27NOS — CID 116763483

IUPACN-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)C1(OC)CCCCC1
InChIInChI=1S/C16H27NOS/c1-4-12-17-15(14-9-8-13(2)19-14)16(18-3)10-6-5-7-11-16/h8-9,15,17H,4-7,10-12H2,1-3H3
InChIKeyWXNQVWPHWSYCQC-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.45
Rot. Bonds6

About N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine

N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 116763483) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID116763483
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)s1)C1(OC)CCCCC1
InChIInChI=1S/C16H27NOS/c1-4-12-17-15(14-9-8-13(2)19-14)16(18-3)10-6-5-7-11-16/h8-9,15,17H,4-7,10-12H2,1-3H3
InChIKeyWXNQVWPHWSYCQC-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxy-4,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116769729
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[(1-methoxycyclobutyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783684
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(2-ethoxyphenyl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611341
3-[(1-methoxycyclohexyl)-(propylamino)methyl]pyridin-4-amine
CID 116763449
N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714897
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 116763483) is N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)s1)C1(OC)CCCCC1.
What is the InChIKey of N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is WXNQVWPHWSYCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-12-17-15(14-9-8-13(2)19-14)16(18-3)10-6-5-7-11-16/h8-9,15,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116763483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).