2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine

C16H30N2S — CID 61437250

IUPAC2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(CC)Cc1cccs1
InChIInChI=1S/C16H30N2S/c1-5-14(4)11-16(6-2,13-17)18(7-3)12-15-9-8-10-19-15/h8-10,14H,5-7,11-13,17H2,1-4H3
InChIKeyHEQIDMSUKHFKRL-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.11
Rot. Bonds9

About 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine

2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine (PubChem CID 61437250) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
PubChem CID61437250
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(CC)Cc1cccs1
InChIInChI=1S/C16H30N2S/c1-5-14(4)11-16(6-2,13-17)18(7-3)12-15-9-8-10-19-15/h8-10,14H,5-7,11-13,17H2,1-4H3
InChIKeyHEQIDMSUKHFKRL-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 114867542
2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 66180831
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 114867817
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
2-N-ethyl-6,6,6-trifluoro-2-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 116535202
4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
CID 79068897
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine
CID 61426285
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine (CID 61437250) is 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine is CCC(C)CC(CC)(CN)N(CC)Cc1cccs1.
What is the InChIKey of 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The InChIKey is HEQIDMSUKHFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-5-14(4)11-16(6-2,13-17)18(7-3)12-15-9-8-10-19-15/h8-10,14H,5-7,11-13,17H2,1-4H3.
What are the key properties of 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine has a molecular weight of 282.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 61437250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).