N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

C17H29NOS — CID 80728764

IUPACN-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2C)c(C)s1
InChIInChI=1S/C17H29NOS/c1-4-9-18-11-16-10-15(14(3)20-16)12-19-17-8-6-5-7-13(17)2/h10,13,17-18H,4-9,11-12H2,1-3H3
InChIKeyRFHSNWUTARANKV-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.65
Rot. Bonds7

About N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 80728764) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID80728764
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2C)c(C)s1
InChIInChI=1S/C17H29NOS/c1-4-9-18-11-16-10-15(14(3)20-16)12-19-17-8-6-5-7-13(17)2/h10,13,17-18H,4-9,11-12H2,1-3H3
InChIKeyRFHSNWUTARANKV-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728754
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80719917
N-[[5-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727521
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62443364
N-[[5-methyl-4-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80729235
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62443965
N-[[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 82006891
N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80719848
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80719418
N-[[5-methyl-4-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 82957315
N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80729782
N-[4-[2-methyl-5-(propylaminomethyl)thiophen-3-yl]butyl]cyclopropanamine
CID 80729000

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (CID 80728764) is N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(COC2CCCCC2C)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is RFHSNWUTARANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-9-18-11-16-10-15(14(3)20-16)12-19-17-8-6-5-7-13(17)2/h10,13,17-18H,4-9,11-12H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80728764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).