N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine

C13H24N2S — CID 104578061

IUPACN',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
SMILESCCCC(NCCCN(C)C)c1cccs1
InChIInChI=1S/C13H24N2S/c1-4-7-12(13-8-5-11-16-13)14-9-6-10-15(2)3/h5,8,11-12,14H,4,6-7,9-10H2,1-3H3
InChIKeyUNLOGNWWVFESOC-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.13
Rot. Bonds8

About N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine

N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine (PubChem CID 104578061) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
PubChem CID104578061
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
SMILESCCCC(NCCCN(C)C)c1cccs1
InChIInChI=1S/C13H24N2S/c1-4-7-12(13-8-5-11-16-13)14-9-6-10-15(2)3/h5,8,11-12,14H,4,6-7,9-10H2,1-3H3
InChIKeyUNLOGNWWVFESOC-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.13
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

N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79087157
3-(butylamino)-3-thiophen-2-ylpropanoic acid
CID 43727779

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine (CID 104578061) is N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine is CCCC(NCCCN(C)C)c1cccs1.
What is the InChIKey of N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine?
The InChIKey is UNLOGNWWVFESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-7-12(13-8-5-11-16-13)14-9-6-10-15(2)3/h5,8,11-12,14H,4,6-7,9-10H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine?
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine is sourced from PubChem (CID 104578061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).