N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine

C16H30N2S — CID 107556145

IUPACN,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
SMILESCCCNCc1ccc(CN(C)C(C)C(C)(C)C)s1
InChIInChI=1S/C16H30N2S/c1-7-10-17-11-14-8-9-15(19-14)12-18(6)13(2)16(3,4)5/h8-9,13,17H,7,10-12H2,1-6H3
InChIKeyZLRBYKRULBVRTA-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.11
Rot. Bonds7

About N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine

N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine (PubChem CID 107556145) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
PubChem CID107556145
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
SMILESCCCNCc1ccc(CN(C)C(C)C(C)(C)C)s1
InChIInChI=1S/C16H30N2S/c1-7-10-17-11-14-8-9-15(19-14)12-18(6)13(2)16(3,4)5/h8-9,13,17H,7,10-12H2,1-6H3
InChIKeyZLRBYKRULBVRTA-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]butan-2-amine
CID 80728121
N-[(5-chlorothiophen-2-yl)methyl]-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 62554509
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 62427206
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
N-ethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-1-amine
CID 107555603
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555362
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555954
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556467
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559158

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine (CID 107556145) is N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine is CCCNCc1ccc(CN(C)C(C)C(C)(C)C)s1.
What is the InChIKey of N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine?
The InChIKey is ZLRBYKRULBVRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-7-10-17-11-14-8-9-15(19-14)12-18(6)13(2)16(3,4)5/h8-9,13,17H,7,10-12H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 107556145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).