N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine

C16H30N2S — CID 43106519

IUPACN,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCCC(C)CC(CC)NCC(c1cccs1)N(C)C
InChIInChI=1S/C16H30N2S/c1-6-13(3)11-14(7-2)17-12-15(18(4)5)16-9-8-10-19-16/h8-10,13-15,17H,6-7,11-12H2,1-5H3
InChIKeyKJKDGZCHOXKSDA-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.16
Rot. Bonds9

About N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43106519) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43106519
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCCC(C)CC(CC)NCC(c1cccs1)N(C)C
InChIInChI=1S/C16H30N2S/c1-6-13(3)11-14(7-2)17-12-15(18(4)5)16-9-8-10-19-16/h8-10,13-15,17H,6-7,11-12H2,1-5H3
InChIKeyKJKDGZCHOXKSDA-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
CID 43722998
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
CID 65332852
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol
CID 43109781
N-(dithiophen-2-ylmethyl)-2-methylbutan-1-amine
CID 62694333
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
N'-[1-(5-bromofuran-2-yl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 104652184
N'-[1-(3-bromophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43094623
N,N-dimethyl-1-thiophen-2-yl-N'-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116534134
4-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]ethyl]benzonitrile
CID 43205885
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine (CID 43106519) is N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine is CCC(C)CC(CC)NCC(c1cccs1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is KJKDGZCHOXKSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-13(3)11-14(7-2)17-12-15(18(4)5)16-9-8-10-19-16/h8-10,13-15,17H,6-7,11-12H2,1-5H3.
What are the key properties of N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 282.50 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43106519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).