N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine

C16H30N2OS — CID 81067740

IUPACN-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CCOC(C)C)c(C)s1
InChIInChI=1S/C16H30N2OS/c1-6-7-17-11-16-10-15(14(4)20-16)12-18(5)8-9-19-13(2)3/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyMKKVSMWKCSFSDU-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.41
Rot. Bonds10

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

N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 81067740) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID81067740
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CCOC(C)C)c(C)s1
InChIInChI=1S/C16H30N2OS/c1-6-7-17-11-16-10-15(14(4)20-16)12-18(5)8-9-19-13(2)3/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyMKKVSMWKCSFSDU-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80727288
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]butan-2-amine
CID 80728121
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728052
N-[[5-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80734065
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 81067851
N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80728940
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80719418
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 80728044

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine (CID 81067740) is N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)CCOC(C)C)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is MKKVSMWKCSFSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-6-7-17-11-16-10-15(14(4)20-16)12-18(5)8-9-19-13(2)3/h10,13,17H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 298.50 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 81067740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).