N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine

C17H27NOS — CID 107558997

IUPACN-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(OCc2ccc(CNC3CC3)s2)C1
InChIInChI=1S/C17H27NOS/c1-12-7-13(2)9-15(8-12)19-11-17-6-5-16(20-17)10-18-14-3-4-14/h5-6,12-15,18H,3-4,7-11H2,1-2H3
InChIKeyPVYFVLZSMCWHJC-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.34
Rot. Bonds6

About N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107558997) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107558997
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(OCc2ccc(CNC3CC3)s2)C1
InChIInChI=1S/C17H27NOS/c1-12-7-13(2)9-15(8-12)19-11-17-6-5-16(20-17)10-18-14-3-4-14/h5-6,12-15,18H,3-4,7-11H2,1-2H3
InChIKeyPVYFVLZSMCWHJC-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559313
N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64731685
N-[[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555649
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557963
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115742240
N-[[5-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]ethanamine
CID 107558162
2-[5-[[(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894323

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107558997) is N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine is CC1CC(C)CC(OCc2ccc(CNC3CC3)s2)C1.
What is the InChIKey of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is PVYFVLZSMCWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-12-7-13(2)9-15(8-12)19-11-17-6-5-16(20-17)10-18-14-3-4-14/h5-6,12-15,18H,3-4,7-11H2,1-2H3.
What are the key properties of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 293.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107558997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).