N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine

C17H30N2S — CID 107555362

IUPACN-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)CC2CCCCC2)s1
InChIInChI=1S/C17H30N2S/c1-3-11-18-12-16-9-10-17(20-16)14-19(2)13-15-7-5-4-6-8-15/h9-10,15,18H,3-8,11-14H2,1-2H3
InChIKeyZLBFYFAWTWKWLT-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.26
Rot. Bonds8

About N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107555362) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107555362
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)CC2CCCCC2)s1
InChIInChI=1S/C17H30N2S/c1-3-11-18-12-16-9-10-17(20-16)14-19(2)13-15-7-5-4-6-8-15/h9-10,15,18H,3-8,11-14H2,1-2H3
InChIKeyZLBFYFAWTWKWLT-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557690
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556859
N-[[4-[[cyclohexylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62411836
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63656726
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556812
N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555954
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107555362) is N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN(C)CC2CCCCC2)s1.
What is the InChIKey of N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is ZLBFYFAWTWKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-3-11-18-12-16-9-10-17(20-16)14-19(2)13-15-7-5-4-6-8-15/h9-10,15,18H,3-8,11-14H2,1-2H3.
What are the key properties of N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107555362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).