1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine

C15H28N2S — CID 113408512

IUPAC1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCCCc1cccs1
InChIInChI=1S/C15H28N2S/c1-4-17(5-2)13-14(3)16-11-7-6-9-15-10-8-12-18-15/h8,10,12,14,16H,4-7,9,11,13H2,1-3H3
InChIKeyWKJHHVNDXQMWHZ-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.39
Rot. Bonds10

About 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine (PubChem CID 113408512) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
PubChem CID113408512
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCCCc1cccs1
InChIInChI=1S/C15H28N2S/c1-4-17(5-2)13-14(3)16-11-7-6-9-15-10-8-12-18-15/h8,10,12,14,16H,4-7,9,11,13H2,1-3H3
InChIKeyWKJHHVNDXQMWHZ-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.39
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-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113407448
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
ethane;2-pentylthiophene
CID 143883800
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine (CID 113408512) is 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine is CCN(CC)CC(C)NCCCCc1cccs1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
The InChIKey is WKJHHVNDXQMWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-17(5-2)13-14(3)16-11-7-6-9-15-10-8-12-18-15/h8,10,12,14,16H,4-7,9,11,13H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine is sourced from PubChem (CID 113408512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).