N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine

C13H24N2S — CID 79087157

IUPACN,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccs1
InChIInChI=1S/C13H24N2S/c1-4-14-12(13-8-7-11-16-13)9-10-15(5-2)6-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyDKXPNAPMQJRKSG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.13
Rot. Bonds8

About N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine

N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine (PubChem CID 79087157) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
PubChem CID79087157
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1cccs1
InChIInChI=1S/C13H24N2S/c1-4-14-12(13-8-7-11-16-13)9-10-15(5-2)6-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyDKXPNAPMQJRKSG-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

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Related Compounds

N',N'-diethyl-N-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 79086941
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
(1R)-N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine
CID 92968196
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine?
The IUPAC name of N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine (CID 79087157) is N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1cccs1.
What is the InChIKey of N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine?
The InChIKey is DKXPNAPMQJRKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-14-12(13-8-7-11-16-13)9-10-15(5-2)6-3/h7-8,11-12,14H,4-6,9-10H2,1-3H3.
What are the key properties of N,N',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine?
N,N',N'-triethyl-1-thiophen-2-ylpropane-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',N'-triethyl-1-thiophen-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79087157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).