N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C13H24N2S — CID 63774752

IUPACN'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCN(CCNC(C)C)CCc1cccs1
InChIInChI=1S/C13H24N2S/c1-4-15(10-8-14-12(2)3)9-7-13-6-5-11-16-13/h5-6,11-12,14H,4,7-10H2,1-3H3
InChIKeyVKJOHOSTCQQKSK-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.61
Rot. Bonds8

About N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 63774752) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID63774752
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCN(CCNC(C)C)CCc1cccs1
InChIInChI=1S/C13H24N2S/c1-4-15(10-8-14-12(2)3)9-7-13-6-5-11-16-13/h5-6,11-12,14H,4,7-10H2,1-3H3
InChIKeyVKJOHOSTCQQKSK-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512
3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
1-N,1-N,3-N-triethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 79087726
N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55226541
2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
CID 63775676
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 81018951
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 63774752) is N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CCN(CCNC(C)C)CCc1cccs1.
What is the InChIKey of N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is VKJOHOSTCQQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-15(10-8-14-12(2)3)9-7-13-6-5-11-16-13/h5-6,11-12,14H,4,7-10H2,1-3H3.
What are the key properties of N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63774752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).